N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide

C19H22N4O — CID 131927243

IUPACN-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide
SMILESCCCn1c(C)nc2cc(NC(=O)CCc3ccncc3)ccc21
InChIInChI=1S/C19H22N4O/c1-3-12-23-14(2)21-17-13-16(5-6-18(17)23)22-19(24)7-4-15-8-10-20-11-9-15/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,22,24)
InChIKeyDOPFFZJJMPUAPZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.72
Rot. Bonds6

About N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide

N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide (PubChem CID 131927243) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide
PubChem CID131927243
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide
SMILESCCCn1c(C)nc2cc(NC(=O)CCc3ccncc3)ccc21
InChIInChI=1S/C19H22N4O/c1-3-12-23-14(2)21-17-13-16(5-6-18(17)23)22-19(24)7-4-15-8-10-20-11-9-15/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,22,24)
InChIKeyDOPFFZJJMPUAPZ-UHFFFAOYSA-N
XLogP3.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 131942241
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
CID 131951300
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
CID 131952394
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-pyridin-4-ylbutanamide
CID 46964209
dimethyl (E)-2-[(2-methyl-1-propylbenzimidazol-5-yl)amino]but-2-enedioate
CID 168570679
N-(1-ethyl-2-methylbenzimidazol-5-yl)-2-pyrazol-1-ylacetamide
CID 46981380
N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide
CID 123952258
N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride
CID 139561212
N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
CID 60508064
N-naphthalen-2-yl-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536273
N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide
CID 168521415

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide (CID 131927243) is N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide is CCCn1c(C)nc2cc(NC(=O)CCc3ccncc3)ccc21.
What is the InChIKey of N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide?
The InChIKey is DOPFFZJJMPUAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-12-23-14(2)21-17-13-16(5-6-18(17)23)22-19(24)7-4-15-8-10-20-11-9-15/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide?
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide has a molecular weight of 322.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 131927243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).