N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide

C23H23N3O — CID 16968882

IUPACN-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C23H23N3O/c1-2-8-23(27)24-15-22-25-20-13-5-6-14-21(20)26(22)16-18-11-7-10-17-9-3-4-12-19(17)18/h3-7,9-14H,2,8,15-16H2,1H3,(H,24,27)
InChIKeyDNBJVSDORIGEAE-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.65
Rot. Bonds6

About N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide

N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide (PubChem CID 16968882) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide
PubChem CID16968882
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C23H23N3O/c1-2-8-23(27)24-15-22-25-20-13-5-6-14-21(20)26(22)16-18-11-7-10-17-9-3-4-12-19(17)18/h3-7,9-14H,2,8,15-16H2,1H3,(H,24,27)
InChIKeyDNBJVSDORIGEAE-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974420
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide
CID 16980695
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028969
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028956
N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide
CID 16968918
N-ethyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033441
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982222
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944

Frequently Asked Questions

What is the IUPAC name of N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide?
The IUPAC name of N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide (CID 16968882) is N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide?
The canonical SMILES for N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide is CCCC(=O)NCc1nc2ccccc2n1Cc1cccc2ccccc12.
What is the InChIKey of N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide?
The InChIKey is DNBJVSDORIGEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-2-8-23(27)24-15-22-25-20-13-5-6-14-21(20)26(22)16-18-11-7-10-17-9-3-4-12-19(17)18/h3-7,9-14H,2,8,15-16H2,1H3,(H,24,27).
What are the key properties of N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide?
N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide has a molecular weight of 357.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 16968882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).