N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide

C19H22N4O — CID 99973307

IUPACN-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide
SMILESCc1ccc2nc([C@@H](NC(=O)Cc3ccccn3)C(C)C)[nH]c2c1
InChIInChI=1S/C19H22N4O/c1-12(2)18(23-17(24)11-14-6-4-5-9-20-14)19-21-15-8-7-13(3)10-16(15)22-19/h4-10,12,18H,11H2,1-3H3,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyQFZIXDZCYIFEPU-SFHVURJKSA-N
MW322.41 g/mol
LogP3.32
Rot. Bonds5

About N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide

N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide (PubChem CID 99973307) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide
PubChem CID99973307
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide
SMILESCc1ccc2nc([C@@H](NC(=O)Cc3ccccn3)C(C)C)[nH]c2c1
InChIInChI=1S/C19H22N4O/c1-12(2)18(23-17(24)11-14-6-4-5-9-20-14)19-21-15-8-7-13(3)10-16(15)22-19/h4-10,12,18H,11H2,1-3H3,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyQFZIXDZCYIFEPU-SFHVURJKSA-N
XLogP3.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-pyrazin-2-ylpropanamide
CID 118782048
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid
CID 124755764
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
2-ethyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyrimidine-5-carboxamide
CID 125164946
3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 86841638
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
CID 95201522
N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide
CID 131889490
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide
CID 86284531
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55936739

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide (CID 99973307) is N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide is Cc1ccc2nc([C@@H](NC(=O)Cc3ccccn3)C(C)C)[nH]c2c1.
What is the InChIKey of N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide?
The InChIKey is QFZIXDZCYIFEPU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12(2)18(23-17(24)11-14-6-4-5-9-20-14)19-21-15-8-7-13(3)10-16(15)22-19/h4-10,12,18H,11H2,1-3H3,(H,21,22)(H,23,24)/t18-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide?
N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide has a molecular weight of 322.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 99973307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).