methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate

C26H23N3O3 — CID 42796354

IUPACmethyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)N(Cc1ncc[nH]1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H23N3O3/c1-32-26(31)23-14-8-7-13-22(23)25(30)29(18-24-27-15-16-28-24)17-20-11-5-6-12-21(20)19-9-3-2-4-10-19/h2-16H,17-18H2,1H3,(H,27,28)
InChIKeyWBWQQIWFUCTQAR-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.71
Rot. Bonds7

About methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate

methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate (PubChem CID 42796354) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate
PubChem CID42796354
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Namemethyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)N(Cc1ncc[nH]1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H23N3O3/c1-32-26(31)23-14-8-7-13-22(23)25(30)29(18-24-27-15-16-28-24)17-20-11-5-6-12-21(20)19-9-3-2-4-10-19/h2-16H,17-18H2,1H3,(H,27,28)
InChIKeyWBWQQIWFUCTQAR-UHFFFAOYSA-N
XLogP4.71
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl)
CID 657149
methyl 4-((2-(1-benzoyl-4-phenylpiperidin-4-yl)-1H-imidazol-1-yl)methyl)benzoate
CID 10227615
N-(3-Imidazol-1-yl-propyl)-phthalamic acid
CID 3132071
Isoindolinone scaffold, 22
CID 16090438
methyl 3-((2-(1-benzoyl-4-phenylpiperidin-4-yl)-1H-imidazol-1-yl)methyl)benzoate
CID 44432583
2-[[4-[[2-(2-Phenylethyl)imidazol-1-yl]methyl]phenyl]carbamoyl]benzoic acid
CID 44275999
2-[[4-[(2-Methylimidazol-1-yl)methyl]phenyl]carbamoyl]benzoic acid
CID 44276029
2-(4-Imidazol-1-ylbutylcarbamoyl)benzoic acid
CID 44366234
N-(1H-imidazol-2-ylmethyl)-N,2'-dimethylbiphenyl-3-carboxamide
CID 56752435
methyl 4-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methylcarbamoyl]benzoate
CID 132462695
methyl 4-[(E)-3-(imidazol-2-yl)prop-1-en-1-yl]-2-(4-fluorophenyl)benzoate
CID 18399528
methyl 4-[(E)-3-(1-benzylimidazol-2-yl)prop-1-enyl]-2-(4-fluorophenyl)benzoate
CID 18399532

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate?
The IUPAC name of methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate (CID 42796354) is methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate?
The canonical SMILES for methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)N(Cc1ncc[nH]1)Cc1ccccc1-c1ccccc1.
What is the InChIKey of methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate?
The InChIKey is WBWQQIWFUCTQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-32-26(31)23-14-8-7-13-22(23)25(30)29(18-24-27-15-16-28-24)17-20-11-5-6-12-21(20)19-9-3-2-4-10-19/h2-16H,17-18H2,1H3,(H,27,28).
What are the key properties of methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate?
methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate has a molecular weight of 425.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1H-imidazol-2-ylmethyl-[(2-phenylphenyl)methyl]carbamoyl]benzoate is sourced from PubChem (CID 42796354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).