5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol

C13H19N3O — CID 107203344

IUPAC5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol
SMILESCN(CCCCCO)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H19N3O/c1-16(9-5-2-6-10-17)13-14-11-7-3-4-8-12(11)15-13/h3-4,7-8,17H,2,5-6,9-10H2,1H3,(H,14,15)
InChIKeyVTSQHSZHTQUNMW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds6

About 5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol

5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol (PubChem CID 107203344) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol
PubChem CID107203344
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol
SMILESCN(CCCCCO)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H19N3O/c1-16(9-5-2-6-10-17)13-14-11-7-3-4-8-12(11)15-13/h3-4,7-8,17H,2,5-6,9-10H2,1H3,(H,14,15)
InChIKeyVTSQHSZHTQUNMW-UHFFFAOYSA-N
XLogP2.16
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methyl-1H-benzimidazol-2-amine
CID 71723451
N-(2-methoxyethyl)-N-methyl-1H-benzimidazol-2-amine
CID 133409792
2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol
CID 60724199
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
N-(2-cyclopentylethyl)-N-methyl-1H-benzimidazol-2-amine
CID 115143924
N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine
CID 63392162
N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555
N-methyl-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 115143872
1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 55125582
5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 107203489
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439
2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol
CID 139235304

Frequently Asked Questions

What is the IUPAC name of 5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol?
The IUPAC name of 5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol (CID 107203344) is 5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol?
The canonical SMILES for 5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol is CN(CCCCCO)c1nc2ccccc2[nH]1.
What is the InChIKey of 5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol?
The InChIKey is VTSQHSZHTQUNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(9-5-2-6-10-17)13-14-11-7-3-4-8-12(11)15-13/h3-4,7-8,17H,2,5-6,9-10H2,1H3,(H,14,15).
What are the key properties of 5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol?
5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol is sourced from PubChem (CID 107203344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).