N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide

C15H20N4O — CID 43403017

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H20N4O/c1-2-19-7-3-4-12(19)9-16-15(20)11-5-6-13-14(8-11)18-10-17-13/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,16,20)(H,17,18)
InChIKeyMLILGUFVHUENOK-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.78
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 43403017) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID43403017
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H20N4O/c1-2-19-7-3-4-12(19)9-16-15(20)11-5-6-13-14(8-11)18-10-17-13/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,16,20)(H,17,18)
InChIKeyMLILGUFVHUENOK-UHFFFAOYSA-N
XLogP1.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[(2-methylcyclopentyl)methyl]-3H-benzimidazole-5-carboxamide
CID 107420236
4-[3-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]phenyl]-3-methoxybenzoic acid
CID 131917228
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
acetic acid;4-[3-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]phenyl]-3-methoxybenzoic acid
CID 154909912
2-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089328
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-4-nitrobenzamide
CID 84926786
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 95074858

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 43403017) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide is CCN1CCCC1CNC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is MLILGUFVHUENOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-19-7-3-4-12(19)9-16-15(20)11-5-6-13-14(8-11)18-10-17-13/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 43403017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).