2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol

C16H16ClN3O — CID 136872106

IUPAC2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol
SMILESCCCn1c(-c2ccc(O)c(N)c2)nc2cccc(Cl)c21
InChIInChI=1S/C16H16ClN3O/c1-2-8-20-15-11(17)4-3-5-13(15)19-16(20)10-6-7-14(21)12(18)9-10/h3-7,9,21H,2,8,18H2,1H3
InChIKeyYVBBKZYAVDJIBW-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.05
Rot. Bonds3

About 2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol

2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol (PubChem CID 136872106) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol
PubChem CID136872106
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol
SMILESCCCn1c(-c2ccc(O)c(N)c2)nc2cccc(Cl)c21
InChIInChI=1S/C16H16ClN3O/c1-2-8-20-15-11(17)4-3-5-13(15)19-16(20)10-6-7-14(21)12(18)9-10/h3-7,9,21H,2,8,18H2,1H3
InChIKeyYVBBKZYAVDJIBW-UHFFFAOYSA-N
XLogP4.05
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol 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-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole
CID 68720916
7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole
CID 68721057
5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine
CID 68735523
7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole
CID 86629817
3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60788262
5-(7-chloro-1-methylbenzimidazol-2-yl)-2-fluoroaniline
CID 54924343
2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 60785145
2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136872120
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068
2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol
CID 136789674
5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine
CID 55166004
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline
CID 60785537

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol?
The IUPAC name of 2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol (CID 136872106) is 2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol?
The canonical SMILES for 2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol is CCCn1c(-c2ccc(O)c(N)c2)nc2cccc(Cl)c21.
What is the InChIKey of 2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol?
The InChIKey is YVBBKZYAVDJIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-2-8-20-15-11(17)4-3-5-13(15)19-16(20)10-6-7-14(21)12(18)9-10/h3-7,9,21H,2,8,18H2,1H3.
What are the key properties of 2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol?
2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol has a molecular weight of 301.78 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 136872106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).