N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide

C19H22N4O — CID 110765642

IUPACN-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)N(C)CCc3ccncc3)cc2[nH]1
InChIInChI=1S/C19H22N4O/c1-13(2)18-21-16-5-4-15(12-17(16)22-18)19(24)23(3)11-8-14-6-9-20-10-7-14/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,21,22)
InChIKeyHRRCWWGROLIIPR-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.40
Rot. Bonds5

About N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide

N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 110765642) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide
PubChem CID110765642
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)N(C)CCc3ccncc3)cc2[nH]1
InChIInChI=1S/C19H22N4O/c1-13(2)18-21-16-5-4-15(12-17(16)22-18)19(24)23(3)11-8-14-6-9-20-10-7-14/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,21,22)
InChIKeyHRRCWWGROLIIPR-UHFFFAOYSA-N
XLogP3.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692316
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785739
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765720
N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765803
3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727
2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
CID 96675047
N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
CID 110440864
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide (CID 110765642) is N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide is CC(C)c1nc2ccc(C(=O)N(C)CCc3ccncc3)cc2[nH]1.
What is the InChIKey of N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is HRRCWWGROLIIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)18-21-16-5-4-15(12-17(16)22-18)19(24)23(3)11-8-14-6-9-20-10-7-14/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,21,22).
What are the key properties of N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide?
N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110765642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).