N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride

C18H26Cl2N4O — CID 119612316

IUPACN-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
SMILESCl.Cl.NCC1CCCCC1NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H24N4O.2ClH/c19-11-16-3-1-2-4-17(16)21-18(23)15-7-5-14(6-8-15)12-22-10-9-20-13-22;;/h5-10,13,16-17H,1-4,11-12,19H2,(H,21,23);2*1H
InChIKeyJPRWGEWFAVMHEO-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride

N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride (PubChem CID 119612316) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
PubChem CID119612316
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
SMILESCl.Cl.NCC1CCCCC1NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H24N4O.2ClH/c19-11-16-3-1-2-4-17(16)21-18(23)15-7-5-14(6-8-15)12-22-10-9-20-13-22;;/h5-10,13,16-17H,1-4,11-12,19H2,(H,21,23);2*1H
InChIKeyJPRWGEWFAVMHEO-UHFFFAOYSA-N
XLogP3.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
N-[2-(aminomethyl)cyclohexyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119610634
N-[2-(aminomethyl)cyclopentyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 119602599
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide
CID 51896556
N-[2-(aminomethyl)cyclohexyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 119611457
N-[2-(aminomethyl)cyclohexyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119609806
N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide
CID 119104686
N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922951
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119612158
N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119603577
N-[1-(hydroxymethyl)cyclopentyl]-4-(imidazol-1-ylmethyl)benzamide
CID 110008830
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride (CID 119612316) is N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride is Cl.Cl.NCC1CCCCC1NC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride?
The InChIKey is JPRWGEWFAVMHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.2ClH/c19-11-16-3-1-2-4-17(16)21-18(23)15-7-5-14(6-8-15)12-22-10-9-20-13-22;;/h5-10,13,16-17H,1-4,11-12,19H2,(H,21,23);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119612316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).