3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol

C13H18ClN3O — CID 107835456

IUPAC3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol
SMILESCCCn1c(C(O)CCN)nc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClN3O/c1-2-7-17-11-8-9(14)3-4-10(11)16-13(17)12(18)5-6-15/h3-4,8,12,18H,2,5-7,15H2,1H3
InChIKeyWRIURWHMEYZMBC-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.48
Rot. Bonds5

About 3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol

3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol (PubChem CID 107835456) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol
PubChem CID107835456
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol
SMILESCCCn1c(C(O)CCN)nc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClN3O/c1-2-7-17-11-8-9(14)3-4-10(11)16-13(17)12(18)5-6-15/h3-4,8,12,18H,2,5-7,15H2,1H3
InChIKeyWRIURWHMEYZMBC-UHFFFAOYSA-N
XLogP2.48
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol 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

3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835397
1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine
CID 113316618
3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol
CID 114006759
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
3-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 80539721
3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol
CID 107835425
2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
CID 66165447
2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine
CID 115472892
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol
CID 46308191
6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
CID 46309104
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol (CID 107835456) is 3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol is CCCn1c(C(O)CCN)nc2ccc(Cl)cc21.
What is the InChIKey of 3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is WRIURWHMEYZMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-7-17-11-8-9(14)3-4-10(11)16-13(17)12(18)5-6-15/h3-4,8,12,18H,2,5-7,15H2,1H3.
What are the key properties of 3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol?
3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 267.76 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 107835456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).