methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate

C23H19N3O3 — CID 3101729

IUPACmethyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-14-4-3-5-19-20(14)26-21(25-19)15-10-12-18(13-11-15)24-22(27)16-6-8-17(9-7-16)23(28)29-2/h3-13H,1-2H3,(H,24,27)(H,25,26)
InChIKeyNAMOTUCHTFMKIC-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.58
Rot. Bonds4

About methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate

methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate (PubChem CID 3101729) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate
PubChem CID3101729
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Namemethyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-14-4-3-5-19-20(14)26-21(25-19)15-10-12-18(13-11-15)24-22(27)16-6-8-17(9-7-16)23(28)29-2/h3-13H,1-2H3,(H,24,27)(H,25,26)
InChIKeyNAMOTUCHTFMKIC-UHFFFAOYSA-N
XLogP4.58
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
methyl 4-(4-bromo-1H-benzimidazol-2-yl)benzoate
CID 166067422
methyl 4-(4-nitro-1H-benzimidazol-2-yl)benzoate
CID 4915276
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide
CID 100577552
methyl 4-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)carbamoyl]benzoate
CID 3153966
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 5-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoyl]-3-methylthiophene-2-carboxylate
CID 167810499
N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1H-imidazole-5-carboxamide
CID 44530727
methyl 4-[(3-methylquinoxaline-2-carbonyl)amino]benzoate
CID 110861762

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate (CID 3101729) is methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate?
The InChIKey is NAMOTUCHTFMKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-14-4-3-5-19-20(14)26-21(25-19)15-10-12-18(13-11-15)24-22(27)16-6-8-17(9-7-16)23(28)29-2/h3-13H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate?
methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate has a molecular weight of 385.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 3101729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).