N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide

C109H105F2N19O10S4 — CID 161001443

IUPACN-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESC=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5c[nH]cc5C)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccccn5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cccn5C)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cc(C(F)(F)CO)ccc43)C2)C1
InChIInChI=1S/C28H26F2N4O4S.2C27H27N5O2S.C27H25N5O2S/c1-2-24(36)33-10-9-27(15-33)13-18(14-27)34-20-6-5-17(28(29,30)16-35)12-19(20)31-26(34)32-25(37)23-8-7-22(39-23)21-4-3-11-38-21;1-3-24(33)31-14-12-27(17-31)15-18(16-27)32-20-8-5-4-7-19(20)28-26(32)29-25(34)23-11-10-22(35-23)21-9-6-13-30(21)2;1-3-24(33)31-11-10-27(16-31)12-18(13-27)32-21-7-5-4-6-20(21)29-26(32)30-25(34)23-9-8-22(35-23)19-15-28-14-17(19)2;1-2-24(33)31-14-12-27(17-31)15-18(16-27)32-21-9-4-3-7-19(21)29-26(32)30-25(34)23-11-10-22(35-23)20-8-5-6-13-28-20/h2-8,11-12,18,35H,1,9-10,13-16H2,(H,31,32,37);3-11,13,18H,1,12,14-17H2,2H3,(H,28,29,34);3-9,14-15,18,28H,1,10-13,16H2,2H3,(H,29,30,34);2-11,13,18H,1,12,14-17H2,(H,29,30,34)
InChIKeyTVXWNWGEVVQSPC-UHFFFAOYSA-N
MW2007.43 g/mol
LogP21.07
Rot. Bonds22

About N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide

N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 161001443) has the molecular formula C109H105F2N19O10S4 and a molecular weight of 2007.43 g/mol. Its IUPAC name is N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide
PubChem CID161001443
Molecular FormulaC109H105F2N19O10S4
Molecular Weight2007.43 g/mol
Exact Mass2005.71
IUPAC NameN-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILESC=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5c[nH]cc5C)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccccn5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cccn5C)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cc(C(F)(F)CO)ccc43)C2)C1
InChIInChI=1S/C28H26F2N4O4S.2C27H27N5O2S.C27H25N5O2S/c1-2-24(36)33-10-9-27(15-33)13-18(14-27)34-20-6-5-17(28(29,30)16-35)12-19(20)31-26(34)32-25(37)23-8-7-22(39-23)21-4-3-11-38-21;1-3-24(33)31-14-12-27(17-31)15-18(16-27)32-20-8-5-4-7-19(20)28-26(32)29-25(34)23-11-10-22(35-23)21-9-6-13-30(21)2;1-3-24(33)31-11-10-27(16-31)12-18(13-27)32-21-7-5-4-6-20(21)29-26(32)30-25(34)23-9-8-22(35-23)19-15-28-14-17(19)2;1-2-24(33)31-14-12-27(17-31)15-18(16-27)32-21-9-4-3-7-19(21)29-26(32)30-25(34)23-11-10-22(35-23)20-8-5-6-13-28-20/h2-8,11-12,18,35H,1,9-10,13-16H2,(H,31,32,37);3-11,13,18H,1,12,14-17H2,2H3,(H,28,29,34);3-9,14-15,18,28H,1,10-13,16H2,2H3,(H,29,30,34);2-11,13,18H,1,12,14-17H2,(H,29,30,34)
InChIKeyTVXWNWGEVVQSPC-UHFFFAOYSA-N
XLogP21.07
TPSA335.90 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002007.43
LogP ≤ 521.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide (CID 161001443) is N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide is C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5c[nH]cc5C)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccccn5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cccn5C)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cc(C(F)(F)CO)ccc43)C2)C1.
What is the InChIKey of N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is TVXWNWGEVVQSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O4S.2C27H27N5O2S.C27H25N5O2S/c1-2-24(36)33-10-9-27(15-33)13-18(14-27)34-20-6-5-17(28(29,30)16-35)12-19(20)31-26(34)32-25(37)23-8-7-22(39-23)21-4-3-11-38-21;1-3-24(33)31-14-12-27(17-31)15-18(16-27)32-20-8-5-4-7-19(20)28-26(32)29-25(34)23-11-10-22(35-23)21-9-6-13-30(21)2;1-3-24(33)31-11-10-27(16-31)12-18(13-27)32-21-7-5-4-6-20(21)29-26(32)30-25(34)23-9-8-22(35-23)19-15-28-14-17(19)2;1-2-24(33)31-14-12-27(17-31)15-18(16-27)32-21-9-4-3-7-19(21)29-26(32)30-25(34)23-11-10-22(35-23)20-8-5-6-13-28-20/h2-8,11-12,18,35H,1,9-10,13-16H2,(H,31,32,37);3-11,13,18H,1,12,14-17H2,2H3,(H,28,29,34);3-9,14-15,18,28H,1,10-13,16H2,2H3,(H,29,30,34);2-11,13,18H,1,12,14-17H2,(H,29,30,34).
What are the key properties of N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide?
N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 2007.43 g/mol, XLogP of 21.07, 22 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(1-methylpyrrol-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(4-methyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 161001443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).