3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide

C19H24N4O2 — CID 97023055

IUPAC3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide
SMILESCC(C)Cn1ccnc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1
InChIInChI=1S/C19H24N4O2/c1-12(2)11-23-8-7-20-19(23)22-17(24)14-5-4-6-15(10-14)21-18(25)16-9-13(16)3/h4-8,10,12-13,16H,9,11H2,1-3H3,(H,21,25)(H,20,22,24)/t13-,16-/m1/s1
InChIKeyBKFOWBPNADLCRE-CZUORRHYSA-N
MW340.43 g/mol
LogP3.39
Rot. Bonds6

About 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide

3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide (PubChem CID 97023055) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide
PubChem CID97023055
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide
SMILESCC(C)Cn1ccnc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1
InChIInChI=1S/C19H24N4O2/c1-12(2)11-23-8-7-20-19(23)22-17(24)14-5-4-6-15(10-14)21-18(25)16-9-13(16)3/h4-8,10,12-13,16H,9,11H2,1-3H3,(H,21,25)(H,20,22,24)/t13-,16-/m1/s1
InChIKeyBKFOWBPNADLCRE-CZUORRHYSA-N
XLogP3.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874
ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate
CID 129418999
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide
CID 99597712
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
N-(4-hydroxycyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110888559
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 119199006

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide?
The IUPAC name of 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide (CID 97023055) is 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide.
What is the SMILES notation for 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide?
The canonical SMILES for 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide is CC(C)Cn1ccnc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1.
What is the InChIKey of 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide?
The InChIKey is BKFOWBPNADLCRE-CZUORRHYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)11-23-8-7-20-19(23)22-17(24)14-5-4-6-15(10-14)21-18(25)16-9-13(16)3/h4-8,10,12-13,16H,9,11H2,1-3H3,(H,21,25)(H,20,22,24)/t13-,16-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide?
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[1-(2-methylpropyl)imidazol-2-yl]benzamide is sourced from PubChem (CID 97023055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).