[1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol

C15H21N3O — CID 79640325

IUPAC[1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol
SMILESCc1nc2ccccc2n1C1CCCC(N)(CO)C1
InChIInChI=1S/C15H21N3O/c1-11-17-13-6-2-3-7-14(13)18(11)12-5-4-8-15(16,9-12)10-19/h2-3,6-7,12,19H,4-5,8-10,16H2,1H3
InChIKeyQSRCJRXPTDZXAV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.15
Rot. Bonds2

About [1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol

[1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol (PubChem CID 79640325) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol
PubChem CID79640325
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol
SMILESCc1nc2ccccc2n1C1CCCC(N)(CO)C1
InChIInChI=1S/C15H21N3O/c1-11-17-13-6-2-3-7-14(13)18(11)12-5-4-8-15(16,9-12)10-19/h2-3,6-7,12,19H,4-5,8-10,16H2,1H3
InChIKeyQSRCJRXPTDZXAV-UHFFFAOYSA-N
XLogP2.15
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol?
The IUPAC name of [1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol (CID 79640325) is [1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol is Cc1nc2ccccc2n1C1CCCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol?
The InChIKey is QSRCJRXPTDZXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-17-13-6-2-3-7-14(13)18(11)12-5-4-8-15(16,9-12)10-19/h2-3,6-7,12,19H,4-5,8-10,16H2,1H3.
What are the key properties of [1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol?
[1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol has a molecular weight of 259.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 79640325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).