trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol

C15H21N3O — CID 98562090

IUPACtrans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
SMILESCn1c(CN[C@@H]2CCCC[C@H]2O)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-18-13-8-4-2-6-11(13)17-15(18)10-16-12-7-3-5-9-14(12)19/h2,4,6,8,12,14,16,19H,3,5,7,9-10H2,1H3/t12-,14-/m1/s1
InChIKeyOJLPVMGSZNPXDL-TZMCWYRMSA-N
MW259.35 g/mol
LogP1.97
Rot. Bonds3

About trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol (PubChem CID 98562090) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
PubChem CID98562090
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Nametrans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
SMILESCn1c(CN[C@@H]2CCCC[C@H]2O)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-18-13-8-4-2-6-11(13)17-15(18)10-16-12-7-3-5-9-14(12)19/h2,4,6,8,12,14,16,19H,3,5,7,9-10H2,1H3/t12-,14-/m1/s1
InChIKeyOJLPVMGSZNPXDL-TZMCWYRMSA-N
XLogP1.97
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 63002126
2-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79750115
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79351807
(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 95177731
cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone
CID 96513528
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124241
(5R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 95177923
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol (CID 98562090) is trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol is Cn1c(CN[C@@H]2CCCC[C@H]2O)nc2ccccc21.
What is the InChIKey of trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol?
The InChIKey is OJLPVMGSZNPXDL-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-13-8-4-2-6-11(13)17-15(18)10-16-12-7-3-5-9-14(12)19/h2,4,6,8,12,14,16,19H,3,5,7,9-10H2,1H3/t12-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 98562090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).