3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride

C24H30Cl2N4 — CID 140604341

IUPAC3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride
SMILESCl.NCC1CC(NCc2cnc(Cc3ccccc3)[nH]2)CCC1c1cccc(Cl)c1
InChIInChI=1S/C24H29ClN4.ClH/c25-20-8-4-7-18(12-20)23-10-9-21(13-19(23)14-26)27-15-22-16-28-24(29-22)11-17-5-2-1-3-6-17;/h1-8,12,16,19,21,23,27H,9-11,13-15,26H2,(H,28,29);1H
InChIKeyFHIUHYNNKJXIPZ-UHFFFAOYSA-N
MW445.44 g/mol
LogP5.08
Rot. Bonds7

About 3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride

3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride (PubChem CID 140604341) has the molecular formula C24H30Cl2N4 and a molecular weight of 445.44 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride
PubChem CID140604341
Molecular FormulaC24H30Cl2N4
Molecular Weight445.44 g/mol
Exact Mass444.18
IUPAC Name3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride
SMILESCl.NCC1CC(NCc2cnc(Cc3ccccc3)[nH]2)CCC1c1cccc(Cl)c1
InChIInChI=1S/C24H29ClN4.ClH/c25-20-8-4-7-18(12-20)23-10-9-21(13-19(23)14-26)27-15-22-16-28-24(29-22)11-17-5-2-1-3-6-17;/h1-8,12,16,19,21,23,27H,9-11,13-15,26H2,(H,28,29);1H
InChIKeyFHIUHYNNKJXIPZ-UHFFFAOYSA-N
XLogP5.08
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.44
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride with MolForge

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Related Compounds

N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 55178632
N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109128
N-[(2-benzyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63108604
N-[[2-[(3,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109075
[5-(3-chlorophenyl)-1,1-dioxothiepan-4-yl]methanamine
CID 84814132
N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55176708
[2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012361
4-[[5-[[[1-[(3-chlorophenyl)methyl]-2-oxoazepan-3-yl]amino]methyl]-1H-imidazol-2-yl]methyl]benzonitrile
CID 70163134
N-[(3-chlorophenyl)methyl]-1-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]methanesulfinamide
CID 18663357
N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 62112694
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
N-benzyl-5-(3-chlorophenyl)-1-methylpiperidin-3-amine
CID 83993474

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride (CID 140604341) is 3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride is Cl.NCC1CC(NCc2cnc(Cc3ccccc3)[nH]2)CCC1c1cccc(Cl)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is FHIUHYNNKJXIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4.ClH/c25-20-8-4-7-18(12-20)23-10-9-21(13-19(23)14-26)27-15-22-16-28-24(29-22)11-17-5-2-1-3-6-17;/h1-8,12,16,19,21,23,27H,9-11,13-15,26H2,(H,28,29);1H.
What are the key properties of 3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride?
3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 445.44 g/mol, XLogP of 5.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2-benzyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 140604341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).