2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol

C13H19N3O — CID 81431647

IUPAC2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol
SMILESCC(C)NCCCc1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C13H19N3O/c1-9(2)14-7-3-4-13-15-11-6-5-10(17)8-12(11)16-13/h5-6,8-9,14,17H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyUZXQXLNDGHQKQA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.20
Rot. Bonds5

About 2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol

2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol (PubChem CID 81431647) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol
PubChem CID81431647
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol
SMILESCC(C)NCCCc1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C13H19N3O/c1-9(2)14-7-3-4-13-15-11-6-5-10(17)8-12(11)16-13/h5-6,8-9,14,17H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyUZXQXLNDGHQKQA-UHFFFAOYSA-N
XLogP2.20
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(6-hydroxy-1H-benzimidazol-2-yl)pentanoic acid
CID 81431385
N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
CID 96673204
3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine
CID 81137710
formic acid;4,4,4-trifluoro-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]butan-2-amine
CID 154908586
2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol
CID 81432482
2-[3-(propan-2-ylamino)propyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821367
2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol
CID 81431992
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
3-(4-fluoro-1H-benzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837837
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60849760
3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 114995817

Frequently Asked Questions

What is the IUPAC name of 2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol?
The IUPAC name of 2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol (CID 81431647) is 2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol is CC(C)NCCCc1nc2ccc(O)cc2[nH]1.
What is the InChIKey of 2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol?
The InChIKey is UZXQXLNDGHQKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)14-7-3-4-13-15-11-6-5-10(17)8-12(11)16-13/h5-6,8-9,14,17H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol?
2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol has a molecular weight of 233.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol is sourced from PubChem (CID 81431647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).