3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol

C10H13N3O — CID 3096134

IUPAC3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
SMILESNc1ccc2nc(CCCO)[nH]c2c1
InChIInChI=1S/C10H13N3O/c11-7-3-4-8-9(6-7)13-10(12-8)2-1-5-14/h3-4,6,14H,1-2,5,11H2,(H,12,13)
InChIKeyBVNWGDZNXNWEIB-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.07
Rot. Bonds3

About 3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol

3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol (PubChem CID 3096134) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
PubChem CID3096134
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
SMILESNc1ccc2nc(CCCO)[nH]c2c1
InChIInChI=1S/C10H13N3O/c11-7-3-4-8-9(6-7)13-10(12-8)2-1-5-14/h3-4,6,14H,1-2,5,11H2,(H,12,13)
InChIKeyBVNWGDZNXNWEIB-UHFFFAOYSA-N
XLogP1.07
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-3H-benzimidazol-5-amine
CID 23301932
3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
CID 4162826
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 79204635
3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol
CID 79204636
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728
2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine
CID 4080442
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991418
3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol
CID 5153534
3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol
CID 71241541
2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide
CID 114231833

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol (CID 3096134) is 3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol is Nc1ccc2nc(CCCO)[nH]c2c1.
What is the InChIKey of 3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol?
The InChIKey is BVNWGDZNXNWEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-7-3-4-8-9(6-7)13-10(12-8)2-1-5-14/h3-4,6,14H,1-2,5,11H2,(H,12,13).
What are the key properties of 3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol?
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol has a molecular weight of 191.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 3096134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).