2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C12H19N3O — CID 90640337

IUPAC2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCCCNC(=O)C1CCc2nc(C)[nH]c2C1
InChIInChI=1S/C12H19N3O/c1-3-6-13-12(16)9-4-5-10-11(7-9)15-8(2)14-10/h9H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyQUGNATCZIQEVEP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.35
Rot. Bonds3

About 2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640337) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640337
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCCCNC(=O)C1CCc2nc(C)[nH]c2C1
InChIInChI=1S/C12H19N3O/c1-3-6-13-12(16)9-4-5-10-11(7-9)15-8(2)14-10/h9H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyQUGNATCZIQEVEP-UHFFFAOYSA-N
XLogP1.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640349
N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640525
(5R)-2-methyl-N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664205
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628447
2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640645
(5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663312
(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663453
2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl chloride
CID 10703139
2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640382
N-[(2-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640377
N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 154770748
N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640337) is 2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is CCCNC(=O)C1CCc2nc(C)[nH]c2C1.
What is the InChIKey of 2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is QUGNATCZIQEVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-6-13-12(16)9-4-5-10-11(7-9)15-8(2)14-10/h9H,3-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).