(1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol

C18H25N3O2 — CID 110146419

IUPAC(1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol
SMILESCN(Cc1nccn1C)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O
InChIInChI=1S/C18H25N3O2/c1-20-12-11-19-17(20)13-21(2)15-9-6-10-16(18(15)22)23-14-7-4-3-5-8-14/h3-5,7-8,11-12,15-16,18,22H,6,9-10,13H2,1-2H3/t15-,16+,18+/m1/s1
InChIKeyUUPRRGQJCTUJPK-RYRKJORJSA-N
MW315.42 g/mol
LogP2.21
Rot. Bonds5

About (1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol

(1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol (PubChem CID 110146419) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol
PubChem CID110146419
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol
SMILESCN(Cc1nccn1C)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O
InChIInChI=1S/C18H25N3O2/c1-20-12-11-19-17(20)13-21(2)15-9-6-10-16(18(15)22)23-14-7-4-3-5-8-14/h3-5,7-8,11-12,15-16,18,22H,6,9-10,13H2,1-2H3/t15-,16+,18+/m1/s1
InChIKeyUUPRRGQJCTUJPK-RYRKJORJSA-N
XLogP2.21
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-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

Imiloxan
CID 133621
Imiloxan hydrochloride
CID 172975
1-(2-methyl-1H-imidazol-1-yl)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol
CID 2916117
1-(3,5-dimethoxyphenoxy)-3-(1H-imidazol-1-yl)-2-propanol
CID 2963341
2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-1-propylimidazole;hydrochloride
CID 12761767
2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole
CID 12761768
1-Butyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride
CID 12761770
1-[benzyl(methyl)amino]-3-[4-({[(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)phenoxy]propan-2-ol
CID 16187560
1-(2-Methyl-imidazol-1-yl)-3-phenoxy-propan-2-ol
CID 3144349
1-(2-Methyl-imidazol-1-yl)-3-m-tolyloxy-propan-2-ol
CID 2884282
2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-1-ethylimidazole
CID 13393069
1-(1H-imidazol-1-yl)-3-phenoxy-2-propanol
CID 2827484

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol?
The IUPAC name of (1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol (CID 110146419) is (1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol.
What is the SMILES notation for (1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol?
The canonical SMILES for (1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol is CN(Cc1nccn1C)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O.
What is the InChIKey of (1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol?
The InChIKey is UUPRRGQJCTUJPK-RYRKJORJSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20-12-11-19-17(20)13-21(2)15-9-6-10-16(18(15)22)23-14-7-4-3-5-8-14/h3-5,7-8,11-12,15-16,18,22H,6,9-10,13H2,1-2H3/t15-,16+,18+/m1/s1.
What are the key properties of (1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol?
(1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol has a molecular weight of 315.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol is sourced from PubChem (CID 110146419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).