4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide

C15H15ClN4O — CID 18116740

IUPAC4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCCn1c(CNC(=O)c2cc(Cl)c[nH]2)nc2ccccc21
InChIInChI=1S/C15H15ClN4O/c1-2-20-13-6-4-3-5-11(13)19-14(20)9-18-15(21)12-7-10(16)8-17-12/h3-8,17H,2,9H2,1H3,(H,18,21)
InChIKeyXZJRZEPGQFAQGI-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 18116740) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID18116740
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCCn1c(CNC(=O)c2cc(Cl)c[nH]2)nc2ccccc21
InChIInChI=1S/C15H15ClN4O/c1-2-20-13-6-4-3-5-11(13)19-14(20)9-18-15(21)12-7-10(16)8-17-12/h3-8,17H,2,9H2,1H3,(H,18,21)
InChIKeyXZJRZEPGQFAQGI-UHFFFAOYSA-N
XLogP2.97
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71944245
4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-nitrobenzamide
CID 18116687
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 77090502
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 17484999
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 55408900
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
CID 49373016
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide (CID 18116740) is 4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide is CCn1c(CNC(=O)c2cc(Cl)c[nH]2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is XZJRZEPGQFAQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-2-20-13-6-4-3-5-11(13)19-14(20)9-18-15(21)12-7-10(16)8-17-12/h3-8,17H,2,9H2,1H3,(H,18,21).
What are the key properties of 4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 302.77 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18116740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).