N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide

C18H19N3O — CID 110785727

IUPACN-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
SMILESCC(C)c1nc2ccc(CNC(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C18H19N3O/c1-12(2)17-20-15-9-8-13(10-16(15)21-17)11-19-18(22)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBOQUPYFVUKRBGM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.62
Rot. Bonds4

About N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide

N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide (PubChem CID 110785727) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
PubChem CID110785727
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
SMILESCC(C)c1nc2ccc(CNC(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C18H19N3O/c1-12(2)17-20-15-9-8-13(10-16(15)21-17)11-19-18(22)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBOQUPYFVUKRBGM-UHFFFAOYSA-N
XLogP3.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785739
3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
CID 110785720
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]acetic acid
CID 82498520
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
methyl 4-oxo-4-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]butanoate
CID 110785722
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772843
N-(2-methoxyethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772819
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide
CID 110785750
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796141
N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide
CID 89433796

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide?
The IUPAC name of N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide (CID 110785727) is N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide?
The canonical SMILES for N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide is CC(C)c1nc2ccc(CNC(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide?
The InChIKey is BOQUPYFVUKRBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12(2)17-20-15-9-8-13(10-16(15)21-17)11-19-18(22)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide?
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide has a molecular weight of 293.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide is sourced from PubChem (CID 110785727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).