2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide

C20H23N3O — CID 50844785

IUPAC2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
SMILESCc1ccccc1CC(=O)NCc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C20H23N3O/c1-14(2)23-13-22-18-10-16(8-9-19(18)23)12-21-20(24)11-17-7-5-4-6-15(17)3/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)
InChIKeyUYYUVIYZJRJOEB-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.78
Rot. Bonds5

About 2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide

2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide (PubChem CID 50844785) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
PubChem CID50844785
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
SMILESCc1ccccc1CC(=O)NCc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C20H23N3O/c1-14(2)23-13-22-18-10-16(8-9-19(18)23)12-21-20(24)11-17-7-5-4-6-15(17)3/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)
InChIKeyUYYUVIYZJRJOEB-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 110785922
2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844366
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 50844462
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110785908
N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773064
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
CID 82493458
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785932
N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796167
1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide
CID 110785938
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 110794754

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide (CID 50844785) is 2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide is Cc1ccccc1CC(=O)NCc1ccc2c(c1)ncn2C(C)C.
What is the InChIKey of 2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide?
The InChIKey is UYYUVIYZJRJOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14(2)23-13-22-18-10-16(8-9-19(18)23)12-21-20(24)11-17-7-5-4-6-15(17)3/h4-10,13-14H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide?
2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide is sourced from PubChem (CID 50844785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).