N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide

C20H20N4O — CID 77098209

IUPACN-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(-c2ncc[nH]2)c1)C(c1ccccn1)C1CC1
InChIInChI=1S/C20H20N4O/c1-24(18(14-8-9-14)17-7-2-3-10-21-17)20(25)16-6-4-5-15(13-16)19-22-11-12-23-19/h2-7,10-14,18H,8-9H2,1H3,(H,22,23)
InChIKeyANGMOLYBMBMQSX-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.69
Rot. Bonds5

About N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide

N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide (PubChem CID 77098209) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
PubChem CID77098209
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(-c2ncc[nH]2)c1)C(c1ccccn1)C1CC1
InChIInChI=1S/C20H20N4O/c1-24(18(14-8-9-14)17-7-2-3-10-21-17)20(25)16-6-4-5-15(13-16)19-22-11-12-23-19/h2-7,10-14,18H,8-9H2,1H3,(H,22,23)
InChIKeyANGMOLYBMBMQSX-UHFFFAOYSA-N
XLogP3.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Difluoromethyl)-5-{[(2-Methylpropanoyl)amino]methyl}-N-{5-Methyl-4-[4-(Trifluoromethyl)phenyl]-1h-Imidazol-2-Yl}pyridine-3-Carboxamide
CID 71059525
AR-H047108
CID 9864291
IN-1130
CID 11676119
2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 11675054
Imidazopyridazin 1
CID 5459373
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-methyl-1H-indol-2-yl)carbonyl)-
CID 453386
Dipyridodiazepinone deriv. 42
CID 463562
Dipyridodiazepinone deriv. 43
CID 463563
2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470743
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide?
The IUPAC name of N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide (CID 77098209) is N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide?
The canonical SMILES for N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide is CN(C(=O)c1cccc(-c2ncc[nH]2)c1)C(c1ccccn1)C1CC1.
What is the InChIKey of N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide?
The InChIKey is ANGMOLYBMBMQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-24(18(14-8-9-14)17-7-2-3-10-21-17)20(25)16-6-4-5-15(13-16)19-22-11-12-23-19/h2-7,10-14,18H,8-9H2,1H3,(H,22,23).
What are the key properties of N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide?
N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide has a molecular weight of 332.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-2-yl)methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide is sourced from PubChem (CID 77098209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).