2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide

C108H124N20O9 — CID 157901384

IUPAC2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide
SMILESCC1CN(CCC1O)CC2=CC(=CC(=C2)N3C=CC(=C3)C)NC(=O)C4=CC5=C(C=C4)C=CN5.CC1CN(CCC1O)CC2=CC(=CC(=C2)N3C=CC(=C3)C)NC(=O)C4=CC5=C(C=C4)N=C(N5)C.CC1CN(CCC1O)CC2=CC(=CC(=C2)N3C=CC(=C3)C)NC(=O)C4=CC5=NNC(=C5C=C4)C.CC1CN(CCC1O)CC2=CC(=CC(=C2)N3C=C(N=C3)C)NC(=O)C4=CC5=C(C=C4)N=C(N5)CCO
InChIInChI=1S/C27H32N6O3.2C27H31N5O2.C27H30N4O2/c1-17-13-32(7-5-25(17)35)15-19-9-21(12-22(10-19)33-14-18(2)28-16-33)29-27(36)20-3-4-23-24(11-20)31-26(30-23)6-8-34;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)30-27(34)21-4-5-24-25(12-21)29-19(3)28-24;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)28-27(34)21-4-5-24-19(3)29-30-25(24)12-21;1-18-6-10-31(15-18)24-12-20(17-30-9-7-26(32)19(2)16-30)11-23(14-24)29-27(33)22-4-3-21-5-8-28-25(21)13-22/h3-4,9-12,14,16-17,25,34-35H,5-8,13,15H2,1-2H3,(H,29,36)(H,30,31);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,29)(H,30,34);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,34)(H,29,30);3-6,8,10-15,19,26,28,32H,7,9,16-17H2,1-2H3,(H,29,33)
InChIKeyDSFGDPATFPXLPR-UHFFFAOYSA-N
MW1846.30 g/mol
LogP
Rot. Bonds22

About 2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide

2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide (PubChem CID 157901384) has the molecular formula C108H124N20O9 and a molecular weight of 1846.30 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide
PubChem CID157901384
Molecular FormulaC108H124N20O9
Molecular Weight1846.30 g/mol
Exact Mass1845.99
IUPAC Name2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide
SMILESCC1CN(CCC1O)CC2=CC(=CC(=C2)N3C=CC(=C3)C)NC(=O)C4=CC5=C(C=C4)C=CN5.CC1CN(CCC1O)CC2=CC(=CC(=C2)N3C=CC(=C3)C)NC(=O)C4=CC5=C(C=C4)N=C(N5)C.CC1CN(CCC1O)CC2=CC(=CC(=C2)N3C=CC(=C3)C)NC(=O)C4=CC5=NNC(=C5C=C4)C.CC1CN(CCC1O)CC2=CC(=CC(=C2)N3C=C(N=C3)C)NC(=O)C4=CC5=C(C=C4)N=C(N5)CCO
InChIInChI=1S/C27H32N6O3.2C27H31N5O2.C27H30N4O2/c1-17-13-32(7-5-25(17)35)15-19-9-21(12-22(10-19)33-14-18(2)28-16-33)29-27(36)20-3-4-23-24(11-20)31-26(30-23)6-8-34;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)30-27(34)21-4-5-24-25(12-21)29-19(3)28-24;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)28-27(34)21-4-5-24-19(3)29-30-25(24)12-21;1-18-6-10-31(15-18)24-12-20(17-30-9-7-26(32)19(2)16-30)11-23(14-24)29-27(33)22-4-3-21-5-8-28-25(21)13-22/h3-4,9-12,14,16-17,25,34-35H,5-8,13,15H2,1-2H3,(H,29,36)(H,30,31);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,29)(H,30,34);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,34)(H,29,30);3-6,8,10-15,19,26,28,32H,7,9,16-17H2,1-2H3,(H,29,33)
InChIKeyDSFGDPATFPXLPR-UHFFFAOYSA-N
XLogP
TPSA365.00 Ų
H-Bond Donors13
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms137
Complexity2830

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.30
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1017

Analyze 2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide (CID 157901384) is 2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide is CC1CN(CCC1O)CC2=CC(=CC(=C2)N3C=CC(=C3)C)NC(=O)C4=CC5=C(C=C4)C=CN5.CC1CN(CCC1O)CC2=CC(=CC(=C2)N3C=CC(=C3)C)NC(=O)C4=CC5=C(C=C4)N=C(N5)C.CC1CN(CCC1O)CC2=CC(=CC(=C2)N3C=CC(=C3)C)NC(=O)C4=CC5=NNC(=C5C=C4)C.CC1CN(CCC1O)CC2=CC(=CC(=C2)N3C=C(N=C3)C)NC(=O)C4=CC5=C(C=C4)N=C(N5)CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide?
The InChIKey is DSFGDPATFPXLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3.2C27H31N5O2.C27H30N4O2/c1-17-13-32(7-5-25(17)35)15-19-9-21(12-22(10-19)33-14-18(2)28-16-33)29-27(36)20-3-4-23-24(11-20)31-26(30-23)6-8-34;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)30-27(34)21-4-5-24-25(12-21)29-19(3)28-24;1-17-6-9-32(14-17)23-11-20(16-31-8-7-26(33)18(2)15-31)10-22(13-23)28-27(34)21-4-5-24-19(3)29-30-25(24)12-21;1-18-6-10-31(15-18)24-12-20(17-30-9-7-26(32)19(2)16-30)11-23(14-24)29-27(33)22-4-3-21-5-8-28-25(21)13-22/h3-4,9-12,14,16-17,25,34-35H,5-8,13,15H2,1-2H3,(H,29,36)(H,30,31);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,29)(H,30,34);4-6,9-14,18,26,33H,7-8,15-16H2,1-3H3,(H,28,34)(H,29,30);3-6,8,10-15,19,26,28,32H,7,9,16-17H2,1-2H3,(H,29,33).
What are the key properties of 2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide?
2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide has a molecular weight of 1846.30 g/mol, XLogP of not available, 22 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-1H-indole-6-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-methyl-2H-indazole-6-carboxamide is sourced from PubChem (CID 157901384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).