[(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine

C18H22ClN5 — CID 155508699

IUPAC[(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine
SMILESCn1nc(-c2nccn2[C@@H]2CCC[C@H](CN)C2)c2c(Cl)cccc21
InChIInChI=1S/C18H22ClN5/c1-23-15-7-3-6-14(19)16(15)17(22-23)18-21-8-9-24(18)13-5-2-4-12(10-13)11-20/h3,6-9,12-13H,2,4-5,10-11,20H2,1H3/t12-,13+/m0/s1
InChIKeyRATRJTFJWKNCEK-QWHCGFSZSA-N
MW343.86 g/mol
LogP3.78
Rot. Bonds3

About [(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine

[(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine (PubChem CID 155508699) has the molecular formula C18H22ClN5 and a molecular weight of 343.86 g/mol. Its IUPAC name is [(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine
PubChem CID155508699
Molecular FormulaC18H22ClN5
Molecular Weight343.86 g/mol
Exact Mass343.16
IUPAC Name[(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine
SMILESCn1nc(-c2nccn2[C@@H]2CCC[C@H](CN)C2)c2c(Cl)cccc21
InChIInChI=1S/C18H22ClN5/c1-23-15-7-3-6-14(19)16(15)17(22-23)18-21-8-9-24(18)13-5-2-4-12(10-13)11-20/h3,6-9,12-13H,2,4-5,10-11,20H2,1H3/t12-,13+/m0/s1
InChIKeyRATRJTFJWKNCEK-QWHCGFSZSA-N
XLogP3.78
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine with MolForge

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Related Compounds

4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole
CID 70774818
(3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide
CID 95558582
5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 70720296
[3-(2-methylimidazol-1-yl)cyclohexyl]methanol
CID 174383256
[(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol
CID 155503395
1-cyclobutyl-2-(1-methylpyrazol-3-yl)imidazole
CID 155911708
N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine
CID 84689488
[(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol
CID 154823973
(2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride
CID 154923336
cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine
CID 154568600
methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate
CID 165421967
[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol
CID 155505550

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine?
The IUPAC name of [(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine (CID 155508699) is [(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine is Cn1nc(-c2nccn2[C@@H]2CCC[C@H](CN)C2)c2c(Cl)cccc21.
What is the InChIKey of [(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine?
The InChIKey is RATRJTFJWKNCEK-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H22ClN5/c1-23-15-7-3-6-14(19)16(15)17(22-23)18-21-8-9-24(18)13-5-2-4-12(10-13)11-20/h3,6-9,12-13H,2,4-5,10-11,20H2,1H3/t12-,13+/m0/s1.
What are the key properties of [(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine?
[(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine has a molecular weight of 343.86 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 155508699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).