2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide

C27H31N3O — CID 16988663

IUPAC2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide
SMILESCC(C)C(=O)NCCCCCc1nc2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C27H31N3O/c1-20(2)27(31)28-17-9-3-4-14-26-29-24-12-7-8-13-25(24)30(26)19-21-15-16-22-10-5-6-11-23(22)18-21/h5-8,10-13,15-16,18,20H,3-4,9,14,17,19H2,1-2H3,(H,28,31)
InChIKeyOIIBMQHSAHXBKL-UHFFFAOYSA-N
MW413.57 g/mol
LogP5.72
Rot. Bonds9

About 2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide

2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide (PubChem CID 16988663) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is 2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide
PubChem CID16988663
Molecular FormulaC27H31N3O
Molecular Weight413.57 g/mol
Exact Mass413.25
IUPAC Name2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide
SMILESCC(C)C(=O)NCCCCCc1nc2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C27H31N3O/c1-20(2)27(31)28-17-9-3-4-14-26-29-24-12-7-8-13-25(24)30(26)19-21-15-16-22-10-5-6-11-23(22)18-21/h5-8,10-13,15-16,18,20H,3-4,9,14,17,19H2,1-2H3,(H,28,31)
InChIKeyOIIBMQHSAHXBKL-UHFFFAOYSA-N
XLogP5.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.57
LogP ≤ 55.72
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

4-bromo-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991579
N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988661
3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990931
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993844
N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987846
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
2-(4-phenylphenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994330
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988720
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 976977
(E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888922
2-(2-chlorophenyl)-N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993675

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide?
The IUPAC name of 2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide (CID 16988663) is 2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide is CC(C)C(=O)NCCCCCc1nc2ccccc2n1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide?
The InChIKey is OIIBMQHSAHXBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O/c1-20(2)27(31)28-17-9-3-4-14-26-29-24-12-7-8-13-25(24)30(26)19-21-15-16-22-10-5-6-11-23(22)18-21/h5-8,10-13,15-16,18,20H,3-4,9,14,17,19H2,1-2H3,(H,28,31).
What are the key properties of 2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide?
2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide has a molecular weight of 413.57 g/mol, XLogP of 5.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]propanamide is sourced from PubChem (CID 16988663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).