N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide

C21H21N3O — CID 25093472

IUPACN-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide
SMILESCc1ccc(-c2ncc[nH]2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C21H21N3O/c1-14-2-5-18(20-22-10-11-23-20)12-19(14)16-6-8-17(9-7-16)21(25)24-13-15-3-4-15/h2,5-12,15H,3-4,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyGUBQMVZGYLUUSM-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.19
Rot. Bonds5

About N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide

N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide (PubChem CID 25093472) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide
PubChem CID25093472
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide
SMILESCc1ccc(-c2ncc[nH]2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C21H21N3O/c1-14-2-5-18(20-22-10-11-23-20)12-19(14)16-6-8-17(9-7-16)21(25)24-13-15-3-4-15/h2,5-12,15H,3-4,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyGUBQMVZGYLUUSM-UHFFFAOYSA-N
XLogP4.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-3,5-dimethylbenzamide
CID 10255149
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(4'-fluoro-[1,1'-biphenyl]-4-yl)methanone
CID 44138039
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(biphenyl-4-yl)methanone
CID 44565831
(2S)-6-methyl-N-[(1S)-1-[5-(2-methyl-1-oxoisoquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 147833215
(3S,6S)-6-(6-oxooctyl)-5,8,18,27,34-pentazahexacyclo[25.2.2.17,10.111,15.114,18.01,3]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione
CID 155140505
N-[3-(1H-imidazol-1-yl)propyl]-3,4-dimethylbenzamide
CID 2862530
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
CID 7694012
4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3235310
4-[(2S)-2-amino-3-[benzyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide
CID 71449607
N-[3-(1H-imidazol-1-yl)propyl][1,1'-biphenyl]-4-carboxamide
CID 3433998
4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(dipropylamino)butyl]benzamide
CID 9956148

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide (CID 25093472) is N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide is Cc1ccc(-c2ncc[nH]2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide?
The InChIKey is GUBQMVZGYLUUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-2-5-18(20-22-10-11-23-20)12-19(14)16-6-8-17(9-7-16)21(25)24-13-15-3-4-15/h2,5-12,15H,3-4,13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide?
N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 25093472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).