N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide

C21H23N3O — CID 16986719

IUPACN-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C21H23N3O/c1-3-21(25)22-14-8-13-20-23-18-11-6-7-12-19(18)24(20)15-17-10-5-4-9-16(17)2/h3-7,9-12H,1,8,13-15H2,2H3,(H,22,25)
InChIKeyZDFIOXDPVHWVBO-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.63
Rot. Bonds7

About N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide

N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide (PubChem CID 16986719) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide
PubChem CID16986719
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C21H23N3O/c1-3-21(25)22-14-8-13-20-23-18-11-6-7-12-19(18)24(20)15-17-10-5-4-9-16(17)2/h3-7,9-12H,1,8,13-15H2,2H3,(H,22,25)
InChIKeyZDFIOXDPVHWVBO-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992206
(E)-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888926
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986702
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986805
N-[3-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986751
2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983003
N-[3-(1-decylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986712
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986709
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
N-[[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972214
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993340

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide?
The IUPAC name of N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide (CID 16986719) is N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide is C=CC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1C.
What is the InChIKey of N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide?
The InChIKey is ZDFIOXDPVHWVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-21(25)22-14-8-13-20-23-18-11-6-7-12-19(18)24(20)15-17-10-5-4-9-16(17)2/h3-7,9-12H,1,8,13-15H2,2H3,(H,22,25).
What are the key properties of N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide?
N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide has a molecular weight of 333.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide is sourced from PubChem (CID 16986719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).