N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

C17H25ClN4O2 — CID 119454466

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCc1c(C(=O)N[C@@H]2CCCC[C@H]2N)cccc1N1CCNC1=O.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-11-12(16(22)20-14-7-3-2-6-13(14)18)5-4-8-15(11)21-10-9-19-17(21)23;/h4-5,8,13-14H,2-3,6-7,9-10,18H2,1H3,(H,19,23)(H,20,22);1H/t13-,14-;/m1./s1
InChIKeyAGNBJDRPOQPDOS-DTPOWOMPSA-N
MW352.87 g/mol
LogP1.95
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (PubChem CID 119454466) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
PubChem CID119454466
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCc1c(C(=O)N[C@@H]2CCCC[C@H]2N)cccc1N1CCNC1=O.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-11-12(16(22)20-14-7-3-2-6-13(14)18)5-4-8-15(11)21-10-9-19-17(21)23;/h4-5,8,13-14H,2-3,6-7,9-10,18H2,1H3,(H,19,23)(H,20,22);1H/t13-,14-;/m1./s1
InChIKeyAGNBJDRPOQPDOS-DTPOWOMPSA-N
XLogP1.95
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 124594018
N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide
CID 107098127
1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119488113
(2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119367620
2-methyl-3-(2-oxoimidazolidin-1-yl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 75495810
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 120891040
N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-pyrrolidin-3-ylbenzamide
CID 126795134
N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040267
N-(2-aminocycloheptyl)-1H-indole-4-carboxamide
CID 63257895
N-(2-aminocyclohexyl)-2-hydroxy-3-methoxybenzamide
CID 55149455
N-[(1R,2R)-2-aminocyclohexyl]-1H-indole-7-carboxamide
CID 102724878
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (CID 119454466) is N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is Cc1c(C(=O)N[C@@H]2CCCC[C@H]2N)cccc1N1CCNC1=O.Cl.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The InChIKey is AGNBJDRPOQPDOS-DTPOWOMPSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-11-12(16(22)20-14-7-3-2-6-13(14)18)5-4-8-15(11)21-10-9-19-17(21)23;/h4-5,8,13-14H,2-3,6-7,9-10,18H2,1H3,(H,19,23)(H,20,22);1H/t13-,14-;/m1./s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119454466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).