N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide

C16H16N4O — CID 75393659

IUPACN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide
SMILESCn1c(C2CC2)nc2cc(NC(=O)c3ccc[nH]3)ccc21
InChIInChI=1S/C16H16N4O/c1-20-14-7-6-11(18-16(21)12-3-2-8-17-12)9-13(14)19-15(20)10-4-5-10/h2-3,6-10,17H,4-5H2,1H3,(H,18,21)
InChIKeyONQWEVIVCFZXHT-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.03
Rot. Bonds3

About N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide

N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide (PubChem CID 75393659) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide
PubChem CID75393659
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide
SMILESCn1c(C2CC2)nc2cc(NC(=O)c3ccc[nH]3)ccc21
InChIInChI=1S/C16H16N4O/c1-20-14-7-6-11(18-16(21)12-3-2-8-17-12)9-13(14)19-15(20)10-4-5-10/h2-3,6-10,17H,4-5H2,1H3,(H,18,21)
InChIKeyONQWEVIVCFZXHT-UHFFFAOYSA-N
XLogP3.03
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)benzamide
CID 110793284
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 75392653
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylfuran-3-carboxamide
CID 75392652
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 97084171
(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide
CID 166238515
9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993673
N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 68694369
2-(5-acetyl-2-methoxyphenyl)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)acetamide
CID 71907055
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 110461124
2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide
CID 166293212
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid
CID 82497559

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide (CID 75393659) is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide is Cn1c(C2CC2)nc2cc(NC(=O)c3ccc[nH]3)ccc21.
What is the InChIKey of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is ONQWEVIVCFZXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20-14-7-6-11(18-16(21)12-3-2-8-17-12)9-13(14)19-15(20)10-4-5-10/h2-3,6-10,17H,4-5H2,1H3,(H,18,21).
What are the key properties of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide?
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75393659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).