9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C21H28Cl2N4O — CID 120984840

IUPAC9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.Cn1ccnc1C(NC(=O)C1CC2CCCC(C1)C2N)c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN4O.ClH/c1-26-10-9-24-20(26)19(13-5-7-17(22)8-6-13)25-21(27)16-11-14-3-2-4-15(12-16)18(14)23;/h5-10,14-16,18-19H,2-4,11-12,23H2,1H3,(H,25,27);1H
InChIKeyFWVCMICCKQECKV-UHFFFAOYSA-N
MW423.39 g/mol
LogP3.85
Rot. Bonds4

About 9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120984840) has the molecular formula C21H28Cl2N4O and a molecular weight of 423.39 g/mol. Its IUPAC name is 9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120984840
Molecular FormulaC21H28Cl2N4O
Molecular Weight423.39 g/mol
Exact Mass422.16
IUPAC Name9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.Cn1ccnc1C(NC(=O)C1CC2CCCC(C1)C2N)c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN4O.ClH/c1-26-10-9-24-20(26)19(13-5-7-17(22)8-6-13)25-21(27)16-11-14-3-2-4-15(12-16)18(14)23;/h5-10,14-16,18-19H,2-4,11-12,23H2,1H3,(H,25,27);1H
InChIKeyFWVCMICCKQECKV-UHFFFAOYSA-N
XLogP3.85
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride 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

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 25406313
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 39490029
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
CID 110429557
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 25390628
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
1-(4-chlorophenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25366246
(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
CID 119273847
(3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 27035334
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984546
(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 39724956

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120984840) is 9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.Cn1ccnc1C(NC(=O)C1CC2CCCC(C1)C2N)c1ccc(Cl)cc1.
What is the InChIKey of 9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is FWVCMICCKQECKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O.ClH/c1-26-10-9-24-20(26)19(13-5-7-17(22)8-6-13)25-21(27)16-11-14-3-2-4-15(12-16)18(14)23;/h5-10,14-16,18-19H,2-4,11-12,23H2,1H3,(H,25,27);1H.
What are the key properties of 9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 423.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120984840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).