N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide

C18H19N3O — CID 738998

IUPACN-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide
SMILESCc1c(NC(=O)C(C)C)cccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O/c1-11(2)18(22)21-14-10-6-7-13(12(14)3)17-19-15-8-4-5-9-16(15)20-17/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKeyWBCRHZNMEJIWMN-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.13
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide

N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide (PubChem CID 738998) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide
PubChem CID738998
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide
SMILESCc1c(NC(=O)C(C)C)cccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O/c1-11(2)18(22)21-14-10-6-7-13(12(14)3)17-19-15-8-4-5-9-16(15)20-17/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKeyWBCRHZNMEJIWMN-UHFFFAOYSA-N
XLogP4.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
CID 30308665
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 6460335
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 30308671
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 146052786
2-[[3-(1H-benzimidazol-2-yl)-2-methylanilino]methylidene]propanedinitrile
CID 168544141
2-[[3-(1H-benzimidazol-2-yl)-2-methylphenyl]hydrazinylidene]propanedinitrile
CID 169340538
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide
CID 42270862
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 17296295
2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide
CID 19166734

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide (CID 738998) is N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide is Cc1c(NC(=O)C(C)C)cccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide?
The InChIKey is WBCRHZNMEJIWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-11(2)18(22)21-14-10-6-7-13(12(14)3)17-19-15-8-4-5-9-16(15)20-17/h4-11H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide?
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 738998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).