3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide

C20H23N3O — CID 4106595

IUPAC3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2nc3ccccc3n2C(C)C)c1
InChIInChI=1S/C20H23N3O/c1-14(2)23-18-10-5-4-9-17(18)22-19(23)11-12-21-20(24)16-8-6-7-15(3)13-16/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)
InChIKeyPDGVILJVFPQKCB-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.90
Rot. Bonds5

About 3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide

3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 4106595) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID4106595
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2nc3ccccc3n2C(C)C)c1
InChIInChI=1S/C20H23N3O/c1-14(2)23-18-10-5-4-9-17(18)22-19(23)11-12-21-20(24)16-8-6-7-15(3)13-16/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)
InChIKeyPDGVILJVFPQKCB-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-[1-[2-(2-methylpropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030797
N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030842
N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977725
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977611
3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977708
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 122150093
3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983159
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977702
5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86974330
N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031577
3-methyl-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029442

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide (CID 4106595) is 3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide is Cc1cccc(C(=O)NCCc2nc3ccccc3n2C(C)C)c1.
What is the InChIKey of 3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is PDGVILJVFPQKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14(2)23-18-10-5-4-9-17(18)22-19(23)11-12-21-20(24)16-8-6-7-15(3)13-16/h4-10,13-14H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide?
3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 4106595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).