N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide

C24H25N3O — CID 16980695

IUPACN-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide
SMILESCCC(=O)NCCCc1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C24H25N3O/c1-2-24(28)25-16-8-15-23-26-21-13-5-6-14-22(21)27(23)17-19-11-7-10-18-9-3-4-12-20(18)19/h3-7,9-14H,2,8,15-17H2,1H3,(H,25,28)
InChIKeyFXTRQROIQOMIKF-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.70
Rot. Bonds7

About N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide

N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide (PubChem CID 16980695) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide
PubChem CID16980695
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC NameN-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide
SMILESCCC(=O)NCCCc1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C24H25N3O/c1-2-24(28)25-16-8-15-23-26-21-13-5-6-14-22(21)27(23)17-19-11-7-10-18-9-3-4-12-20(18)19/h3-7,9-14H,2,8,15-17H2,1H3,(H,25,28)
InChIKeyFXTRQROIQOMIKF-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.70
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

N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974420
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982222
N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968882
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991902
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
CID 16980760
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033393
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019
(E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992712
N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
CID 16980700

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide?
The IUPAC name of N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide (CID 16980695) is N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide.
What is the SMILES notation for N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide?
The canonical SMILES for N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide is CCC(=O)NCCCc1nc2ccccc2n1Cc1cccc2ccccc12.
What is the InChIKey of N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide?
The InChIKey is FXTRQROIQOMIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-2-24(28)25-16-8-15-23-26-21-13-5-6-14-22(21)27(23)17-19-11-7-10-18-9-3-4-12-20(18)19/h3-7,9-14H,2,8,15-17H2,1H3,(H,25,28).
What are the key properties of N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide?
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide has a molecular weight of 371.48 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide is sourced from PubChem (CID 16980695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).