N-(2-methylphenyl)-1-propylbenzimidazol-2-amine

C17H19N3 — CID 829853

IUPACN-(2-methylphenyl)-1-propylbenzimidazol-2-amine
SMILESCCCn1c(Nc2ccccc2C)nc2ccccc21
InChIInChI=1S/C17H19N3/c1-3-12-20-16-11-7-6-10-15(16)19-17(20)18-14-9-5-4-8-13(14)2/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyWAVHWCFHPCDQPF-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.50
Rot. Bonds4

About N-(2-methylphenyl)-1-propylbenzimidazol-2-amine

N-(2-methylphenyl)-1-propylbenzimidazol-2-amine (PubChem CID 829853) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-propylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-propylbenzimidazol-2-amine
PubChem CID829853
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-(2-methylphenyl)-1-propylbenzimidazol-2-amine
SMILESCCCn1c(Nc2ccccc2C)nc2ccccc21
InChIInChI=1S/C17H19N3/c1-3-12-20-16-11-7-6-10-15(16)19-17(20)18-14-9-5-4-8-13(14)2/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyWAVHWCFHPCDQPF-UHFFFAOYSA-N
XLogP4.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylphenyl)-1-propylbenzimidazol-2-amine 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

1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine
CID 4697787
2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine
CID 91927564
N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
CID 88993158
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine
CID 75434623
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
CID 119265100
(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide
CID 38011370

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-propylbenzimidazol-2-amine?
The IUPAC name of N-(2-methylphenyl)-1-propylbenzimidazol-2-amine (CID 829853) is N-(2-methylphenyl)-1-propylbenzimidazol-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-1-propylbenzimidazol-2-amine?
The canonical SMILES for N-(2-methylphenyl)-1-propylbenzimidazol-2-amine is CCCn1c(Nc2ccccc2C)nc2ccccc21.
What is the InChIKey of N-(2-methylphenyl)-1-propylbenzimidazol-2-amine?
The InChIKey is WAVHWCFHPCDQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-12-20-16-11-7-6-10-15(16)19-17(20)18-14-9-5-4-8-13(14)2/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methylphenyl)-1-propylbenzimidazol-2-amine?
N-(2-methylphenyl)-1-propylbenzimidazol-2-amine has a molecular weight of 265.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-propylbenzimidazol-2-amine is sourced from PubChem (CID 829853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).