N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide

C19H21N3O — CID 110765703

IUPACN-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)n1cnc2cc(C(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C19H21N3O/c1-14(2)22-13-20-17-11-16(9-10-18(17)22)19(23)21(3)12-15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3
InChIKeyYNDXBUIWVUZBLS-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.89
Rot. Bonds4

About N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide

N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 110765703) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID110765703
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)n1cnc2cc(C(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C19H21N3O/c1-14(2)22-13-20-17-11-16(9-10-18(17)22)19(23)21(3)12-15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3
InChIKeyYNDXBUIWVUZBLS-UHFFFAOYSA-N
XLogP3.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-propan-2-yl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765720
N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide
CID 3658169
2-[(1-propan-2-ylbenzimidazole-5-carbonyl)-[[3-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 110165490
4-oxo-4-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82500461
2-[(2,3-difluorophenyl)methyl-(1-propan-2-ylbenzimidazole-5-carbonyl)amino]acetic acid
CID 110165737
2-[2-(3-methylphenyl)ethyl-(1-propan-2-ylbenzimidazole-5-carbonyl)amino]acetic acid
CID 110165448
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
2-[(1-propan-2-ylbenzimidazole-5-carbonyl)-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid
CID 110165527
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
CID 110692583
N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide
CID 110766019
3-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82498137

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide (CID 110765703) is N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide is CC(C)n1cnc2cc(C(=O)N(C)Cc3ccccc3)ccc21.
What is the InChIKey of N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is YNDXBUIWVUZBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14(2)22-13-20-17-11-16(9-10-18(17)22)19(23)21(3)12-15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide?
N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110765703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).