1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine

C16H21N5 — CID 62508178

IUPAC1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CCCn1ccnc1
InChIInChI=1S/C16H21N5/c1-2-4-16-19-14-11-13(17)5-6-15(14)21(16)9-3-8-20-10-7-18-12-20/h5-7,10-12H,2-4,8-9,17H2,1H3
InChIKeyZTYCCOKSDXRXEL-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.86
Rot. Bonds6

About 1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine

1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine (PubChem CID 62508178) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine
PubChem CID62508178
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CCCn1ccnc1
InChIInChI=1S/C16H21N5/c1-2-4-16-19-14-11-13(17)5-6-15(14)21(16)9-3-8-20-10-7-18-12-20/h5-7,10-12H,2-4,8-9,17H2,1H3
InChIKeyZTYCCOKSDXRXEL-UHFFFAOYSA-N
XLogP2.86
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-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

2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine
CID 62506716
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine
CID 80690550
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
6-amino-3-(3-imidazol-1-ylpropyl)-1H-benzimidazol-2-one
CID 110491439
3-(5-amino-2-propylbenzimidazol-1-yl)-2,2-dimethylpropan-1-ol
CID 115363216
1-(3-imidazol-1-ylpropyl)imidazo[4,5-c]pyridin-2-amine
CID 79295607
2-butyl-1-methylbenzimidazol-5-amine
CID 58382812
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 55341704
6-chloro-2-(2-chloroethyl)-1-(2-imidazol-1-ylethyl)benzimidazole
CID 115471182
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine
CID 63959143

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine (CID 62508178) is 1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1CCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine?
The InChIKey is ZTYCCOKSDXRXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-4-16-19-14-11-13(17)5-6-15(14)21(16)9-3-8-20-10-7-18-12-20/h5-7,10-12H,2-4,8-9,17H2,1H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine?
1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine has a molecular weight of 283.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 62508178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).