9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C20H29ClN4O — CID 120992778

IUPAC9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCc1cccc2nc(CNC(=O)C3CC4CCCC(C3)C4N)n(C)c12.Cl
InChIInChI=1S/C20H28N4O.ClH/c1-12-5-3-8-16-19(12)24(2)17(23-16)11-22-20(25)15-9-13-6-4-7-14(10-15)18(13)21;/h3,5,8,13-15,18H,4,6-7,9-11,21H2,1-2H3,(H,22,25);1H
InChIKeyMVDMDXNJTCPUGP-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.07
Rot. Bonds3

About 9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120992778) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is 9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120992778
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC Name9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCc1cccc2nc(CNC(=O)C3CC4CCCC(C3)C4N)n(C)c12.Cl
InChIInChI=1S/C20H28N4O.ClH/c1-12-5-3-8-16-19(12)24(2)17(23-16)11-22-20(25)15-9-13-6-4-7-14(10-15)18(13)21;/h3,5,8,13-15,18H,4,6-7,9-11,21H2,1-2H3,(H,22,25);1H
InChIKeyMVDMDXNJTCPUGP-UHFFFAOYSA-N
XLogP3.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119834834
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120954955
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 136515181
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 166239437
9-amino-N-[2-(2,6-dimethylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986147
2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
CID 71911492
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine
CID 81455738
9-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985305
9-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988850
9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986047
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120992778) is 9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cc1cccc2nc(CNC(=O)C3CC4CCCC(C3)C4N)n(C)c12.Cl.
What is the InChIKey of 9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is MVDMDXNJTCPUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.ClH/c1-12-5-3-8-16-19(12)24(2)17(23-16)11-22-20(25)15-9-13-6-4-7-14(10-15)18(13)21;/h3,5,8,13-15,18H,4,6-7,9-11,21H2,1-2H3,(H,22,25);1H.
What are the key properties of 9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120992778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).