2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide

C22H27N3O — CID 46605569

IUPAC2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccc(C(C)(C)C)cc1)n1cnc2ccccc21
InChIInChI=1S/C22H27N3O/c1-16(25-15-23-19-8-6-7-9-20(19)25)21(26)24(5)14-17-10-12-18(13-11-17)22(2,3)4/h6-13,15-16H,14H2,1-5H3
InChIKeyMKNCSVXRDGRSBA-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.55
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide

2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide (PubChem CID 46605569) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide
PubChem CID46605569
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccc(C(C)(C)C)cc1)n1cnc2ccccc21
InChIInChI=1S/C22H27N3O/c1-16(25-15-23-19-8-6-7-9-20(19)25)21(26)24(5)14-17-10-12-18(13-11-17)22(2,3)4/h6-13,15-16H,14H2,1-5H3
InChIKeyMKNCSVXRDGRSBA-UHFFFAOYSA-N
XLogP4.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 131904053
2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 46429703
(2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide
CID 39115835
2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 50984844
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2-(benzimidazol-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576600
N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide
CID 71618995
2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
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(2S)-2-(benzimidazol-1-yl)-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]propanamide
CID 52535794
(2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide
CID 94437199
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
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3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide (CID 46605569) is 2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide is CC(C(=O)N(C)Cc1ccc(C(C)(C)C)cc1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide?
The InChIKey is MKNCSVXRDGRSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16(25-15-23-19-8-6-7-9-20(19)25)21(26)24(5)14-17-10-12-18(13-11-17)22(2,3)4/h6-13,15-16H,14H2,1-5H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide?
2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide has a molecular weight of 349.48 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 46605569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).