3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol

C10H12ClN3O — CID 2950966

IUPAC3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol
SMILESNc1nc2cc(Cl)ccc2n1CCCO
InChIInChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13)
InChIKeyNSMVCZCLMLZSOB-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.65
Rot. Bonds3

About 3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol

3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol (PubChem CID 2950966) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol
PubChem CID2950966
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol
SMILESNc1nc2cc(Cl)ccc2n1CCCO
InChIInChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13)
InChIKeyNSMVCZCLMLZSOB-UHFFFAOYSA-N
XLogP1.65
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-1H-benzimidazole-2-methanol
CID 23383
5,6-dichloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 612073
5,6-Dichloro-1,2-dimethylbenzimidazole
CID 840715
(1-((4-chlorophenyl)methyl)-1H-1,3-benzodiazol-2-yl)methanol
CID 743896
2-(2-Methyl-1H-benzimidazol-1-yl)ethan-1-ol
CID 761926
5-chloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 113622
6-chloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 10419809
1-(6-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one
CID 44590807
1-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one
CID 44590868
5-chloro-2-methyl-1-phenyl-1H-benzimidazole
CID 97024
1H-Benzimidazole, 5-chloro-1-ethyl-2-methyl-
CID 76064
1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-
CID 76717

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol (CID 2950966) is 3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol is Nc1nc2cc(Cl)ccc2n1CCCO.
What is the InChIKey of 3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol?
The InChIKey is NSMVCZCLMLZSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13).
What are the key properties of 3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol?
3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol has a molecular weight of 225.68 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-chlorobenzimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 2950966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).