1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide

C20H24N4O — CID 75401929

IUPAC1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide
SMILESCCCn1c(NC(=O)c2cc(C)n(C3CC3)c2C)nc2ccccc21
InChIInChI=1S/C20H24N4O/c1-4-11-23-18-8-6-5-7-17(18)21-20(23)22-19(25)16-12-13(2)24(14(16)3)15-9-10-15/h5-8,12,15H,4,9-11H2,1-3H3,(H,21,22,25)
InChIKeyQUTNOCUEDXWMKV-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.45
Rot. Bonds5

About 1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide

1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide (PubChem CID 75401929) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide
PubChem CID75401929
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide
SMILESCCCn1c(NC(=O)c2cc(C)n(C3CC3)c2C)nc2ccccc21
InChIInChI=1S/C20H24N4O/c1-4-11-23-18-8-6-5-7-17(18)21-20(23)22-19(25)16-12-13(2)24(14(16)3)15-9-10-15/h5-8,12,15H,4,9-11H2,1-3H3,(H,21,22,25)
InChIKeyQUTNOCUEDXWMKV-UHFFFAOYSA-N
XLogP4.45
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 31510194
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
2-[2-[(1-propylbenzimidazol-2-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119179376
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 34052499

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide (CID 75401929) is 1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide is CCCn1c(NC(=O)c2cc(C)n(C3CC3)c2C)nc2ccccc21.
What is the InChIKey of 1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is QUTNOCUEDXWMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-4-11-23-18-8-6-5-7-17(18)21-20(23)22-19(25)16-12-13(2)24(14(16)3)15-9-10-15/h5-8,12,15H,4,9-11H2,1-3H3,(H,21,22,25).
What are the key properties of 1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide?
1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,5-dimethyl-N-(1-propylbenzimidazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 75401929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).