3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride

C18H26Cl2N4O — CID 119838744

IUPAC3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCc2ccccc2Cn2ccnc2)C1
InChIInChI=1S/C18H24N4O.2ClH/c19-17-7-3-6-14(10-17)18(23)21-11-15-4-1-2-5-16(15)12-22-9-8-20-13-22;;/h1-2,4-5,8-9,13-14,17H,3,6-7,10-12,19H2,(H,21,23);2*1H
InChIKeyZRWJVUMKAWFWNY-UHFFFAOYSA-N
MW385.34 g/mol
LogP2.91
Rot. Bonds5

About 3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119838744) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is 3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119838744
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC Name3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCc2ccccc2Cn2ccnc2)C1
InChIInChI=1S/C18H24N4O.2ClH/c19-17-7-3-6-14(10-17)18(23)21-11-15-4-1-2-5-16(15)12-22-9-8-20-13-22;;/h1-2,4-5,8-9,13-14,17H,3,6-7,10-12,19H2,(H,21,23);2*1H
InChIKeyZRWJVUMKAWFWNY-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119838606
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836069
3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119836070
trans-(1R,3R)-3-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 124689832
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119705497
2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119838755
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119868760
1-(3,5-dimethylbenzoyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55788639
3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119861630
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119812811

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119838744) is 3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)NCc2ccccc2Cn2ccnc2)C1.
What is the InChIKey of 3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is ZRWJVUMKAWFWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.2ClH/c19-17-7-3-6-14(10-17)18(23)21-11-15-4-1-2-5-16(15)12-22-9-8-20-13-22;;/h1-2,4-5,8-9,13-14,17H,3,6-7,10-12,19H2,(H,21,23);2*1H.
What are the key properties of 3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119838744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).