4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide

C23H29N3O — CID 16984255

IUPAC4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
SMILESCCC(C)Cn1c(CCCNC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C23H29N3O/c1-4-17(2)16-26-21-9-6-5-8-20(21)25-22(26)10-7-15-24-23(27)19-13-11-18(3)12-14-19/h5-6,8-9,11-14,17H,4,7,10,15-16H2,1-3H3,(H,24,27)
InChIKeyQJCWJNKBYXGJKF-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.75
Rot. Bonds8

About 4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide

4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16984255) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID16984255
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
SMILESCCC(C)Cn1c(CCCNC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C23H29N3O/c1-4-17(2)16-26-21-9-6-5-8-20(21)25-22(26)10-7-15-24-23(27)19-13-11-18(3)12-14-19/h5-6,8-9,11-14,17H,4,7,10,15-16H2,1-3H3,(H,24,27)
InChIKeyQJCWJNKBYXGJKF-UHFFFAOYSA-N
XLogP4.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16982511
N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984403
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985028
4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984560
N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031580
3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990410
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide (CID 16984255) is 4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide is CCC(C)Cn1c(CCCNC(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is QJCWJNKBYXGJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-4-17(2)16-26-21-9-6-5-8-20(21)25-22(26)10-7-15-24-23(27)19-13-11-18(3)12-14-19/h5-6,8-9,11-14,17H,4,7,10,15-16H2,1-3H3,(H,24,27).
What are the key properties of 4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide?
4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 363.51 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16984255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).