N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide

C24H20ClN3O — CID 27034422

IUPACN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
SMILESCn1ccnc1[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O/c1-28-16-15-26-23(28)22(19-11-13-21(25)14-12-19)27-24(29)20-9-7-18(8-10-20)17-5-3-2-4-6-17/h2-16,22H,1H3,(H,27,29)/t22-/m1/s1
InChIKeyDBHZWDOCKIXROU-JOCHJYFZSA-N
MW401.90 g/mol
LogP5.26
Rot. Bonds5

About N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide (PubChem CID 27034422) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
PubChem CID27034422
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
SMILESCn1ccnc1[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O/c1-28-16-15-26-23(28)22(19-11-13-21(25)14-12-19)27-24(29)20-9-7-18(8-10-20)17-5-3-2-4-6-17/h2-16,22H,1H3,(H,27,29)/t22-/m1/s1
InChIKeyDBHZWDOCKIXROU-JOCHJYFZSA-N
XLogP5.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 25325592
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropoxy)benzamide
CID 25325512
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide
CID 27034467
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342
N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 110429323
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 42923725
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide (CID 27034422) is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide is Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide?
The InChIKey is DBHZWDOCKIXROU-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20ClN3O/c1-28-16-15-26-23(28)22(19-11-13-21(25)14-12-19)27-24(29)20-9-7-18(8-10-20)17-5-3-2-4-6-17/h2-16,22H,1H3,(H,27,29)/t22-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide?
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide has a molecular weight of 401.90 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 27034422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).