2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol

C14H19N3O — CID 62506404

IUPAC2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol
SMILESCc1nc2cc(N)ccc2n1C1CCCCC1O
InChIInChI=1S/C14H19N3O/c1-9-16-11-8-10(15)6-7-12(11)17(9)13-4-2-3-5-14(13)18/h6-8,13-14,18H,2-5,15H2,1H3
InChIKeyNCCXACWJLORFFY-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.40
Rot. Bonds1

About 2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol

2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol (PubChem CID 62506404) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol
PubChem CID62506404
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol
SMILESCc1nc2cc(N)ccc2n1C1CCCCC1O
InChIInChI=1S/C14H19N3O/c1-9-16-11-8-10(15)6-7-12(11)17(9)13-4-2-3-5-14(13)18/h6-8,13-14,18H,2-5,15H2,1H3
InChIKeyNCCXACWJLORFFY-UHFFFAOYSA-N
XLogP2.40
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol (CID 62506404) is 2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol is Cc1nc2cc(N)ccc2n1C1CCCCC1O.
What is the InChIKey of 2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol?
The InChIKey is NCCXACWJLORFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-16-11-8-10(15)6-7-12(11)17(9)13-4-2-3-5-14(13)18/h6-8,13-14,18H,2-5,15H2,1H3.
What are the key properties of 2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol?
2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 62506404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).