N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide

C22H25N5O3 — CID 135638530

IUPACN-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
SMILESCn1cc(C(=O)N2CCCC2)c(O)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C
InChIInChI=1S/C22H25N5O3/c1-25-12-15(22(30)27-9-3-4-10-27)19(28)18(25)20-24-16-11-14(7-8-17(16)26(20)2)23-21(29)13-5-6-13/h7-8,11-13,28H,3-6,9-10H2,1-2H3,(H,23,29)
InChIKeyUKQPVOXUAATRHP-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.87
Rot. Bonds4

About N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide

N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide (PubChem CID 135638530) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
PubChem CID135638530
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
SMILESCn1cc(C(=O)N2CCCC2)c(O)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C
InChIInChI=1S/C22H25N5O3/c1-25-12-15(22(30)27-9-3-4-10-27)19(28)18(25)20-24-16-11-14(7-8-17(16)26(20)2)23-21(29)13-5-6-13/h7-8,11-13,28H,3-6,9-10H2,1-2H3,(H,23,29)
InChIKeyUKQPVOXUAATRHP-UHFFFAOYSA-N
XLogP2.87
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
CID 135638545
5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide
CID 45490733
5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide
CID 45490627
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
N-[2-methyl-5-(pyrrolidine-1-carbonyl)quinolin-7-yl]cyclopropanecarboxamide
CID 53137966
N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide
CID 53137967
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
CID 45490466
N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 53146022
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490630

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide (CID 135638530) is N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide is Cn1cc(C(=O)N2CCCC2)c(O)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C.
What is the InChIKey of N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide?
The InChIKey is UKQPVOXUAATRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-25-12-15(22(30)27-9-3-4-10-27)19(28)18(25)20-24-16-11-14(7-8-17(16)26(20)2)23-21(29)13-5-6-13/h7-8,11-13,28H,3-6,9-10H2,1-2H3,(H,23,29).
What are the key properties of N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide?
N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135638530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).