N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide

C12H19N3O — CID 39871263

IUPACN-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide
SMILESC[C@H]1[C@@H](NC(=O)n2ccnc2)CCC[C@@H]1C
InChIInChI=1S/C12H19N3O/c1-9-4-3-5-11(10(9)2)14-12(16)15-7-6-13-8-15/h6-11H,3-5H2,1-2H3,(H,14,16)/t9-,10+,11-/m0/s1
InChIKeySYZSJULANIBEEQ-AXFHLTTASA-N
MW221.30 g/mol
LogP2.27
Rot. Bonds1

About N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide

N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide (PubChem CID 39871263) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide
PubChem CID39871263
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide
SMILESC[C@H]1[C@@H](NC(=O)n2ccnc2)CCC[C@@H]1C
InChIInChI=1S/C12H19N3O/c1-9-4-3-5-11(10(9)2)14-12(16)15-7-6-13-8-15/h6-11H,3-5H2,1-2H3,(H,14,16)/t9-,10+,11-/m0/s1
InChIKeySYZSJULANIBEEQ-AXFHLTTASA-N
XLogP2.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)imidazole-1-carboxamide
CID 43145409
N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide
CID 17416415
N-(3,3-dimethylcyclobutyl)imidazole-1-carboxamide
CID 131092030
N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide
CID 164659037
N-(2-oxooxolan-3-yl)imidazole-1-carboxamide
CID 68958382
N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide
CID 130921417
4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide
CID 124859696
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011
N-cyclopentyloxyimidazole-1-carboxamide
CID 83198309
tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate
CID 57462892
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94515009
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide?
The IUPAC name of N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide (CID 39871263) is N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide is C[C@H]1[C@@H](NC(=O)n2ccnc2)CCC[C@@H]1C.
What is the InChIKey of N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide?
The InChIKey is SYZSJULANIBEEQ-AXFHLTTASA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-4-3-5-11(10(9)2)14-12(16)15-7-6-13-8-15/h6-11H,3-5H2,1-2H3,(H,14,16)/t9-,10+,11-/m0/s1.
What are the key properties of N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide?
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide is sourced from PubChem (CID 39871263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).