5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol

C13H19N3O — CID 107269271

IUPAC5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1nc2ccccc2n1C
InChIInChI=1S/C13H19N3O/c1-10(17)6-5-9-14-13-15-11-7-3-4-8-12(11)16(13)2/h3-4,7-8,10,17H,5-6,9H2,1-2H3,(H,14,15)
InChIKeyGXBWPJPYTHJTQC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.15
Rot. Bonds5

About 5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol

5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol (PubChem CID 107269271) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol
PubChem CID107269271
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1nc2ccccc2n1C
InChIInChI=1S/C13H19N3O/c1-10(17)6-5-9-14-13-15-11-7-3-4-8-12(11)16(13)2/h3-4,7-8,10,17H,5-6,9H2,1-2H3,(H,14,15)
InChIKeyGXBWPJPYTHJTQC-UHFFFAOYSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
CID 106012665
N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine
CID 115735418
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 106350824
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol
CID 923791
1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazol-2-amine
CID 103868131
2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83836910
4-(4-hydroxypentylamino)quinazoline-2-carboxylic acid
CID 106136485

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol (CID 107269271) is 5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol is CC(O)CCCNc1nc2ccccc2n1C.
What is the InChIKey of 5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol?
The InChIKey is GXBWPJPYTHJTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(17)6-5-9-14-13-15-11-7-3-4-8-12(11)16(13)2/h3-4,7-8,10,17H,5-6,9H2,1-2H3,(H,14,15).
What are the key properties of 5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol?
5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol has a molecular weight of 233.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 107269271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).