benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate

C23H19N3O4 — CID 10834881

IUPACbenzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate
SMILESCOc1ccc(-c2nc3c(C(N)=O)cccc3n2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C23H19N3O4/c1-29-17-12-10-16(11-13-17)22-25-20-18(21(24)27)8-5-9-19(20)26(22)23(28)30-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H2,24,27)
InChIKeyMQIIZTVPJZLAOU-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.00
Rot. Bonds5

About benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate

benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate (PubChem CID 10834881) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate
PubChem CID10834881
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Namebenzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate
SMILESCOc1ccc(-c2nc3c(C(N)=O)cccc3n2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C23H19N3O4/c1-29-17-12-10-16(11-13-17)22-25-20-18(21(24)27)8-5-9-19(20)26(22)23(28)30-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H2,24,27)
InChIKeyMQIIZTVPJZLAOU-UHFFFAOYSA-N
XLogP4.00
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate?
The IUPAC name of benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate (CID 10834881) is benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate.
What is the SMILES notation for benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate?
The canonical SMILES for benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate is COc1ccc(-c2nc3c(C(N)=O)cccc3n2C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate?
The InChIKey is MQIIZTVPJZLAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-29-17-12-10-16(11-13-17)22-25-20-18(21(24)27)8-5-9-19(20)26(22)23(28)30-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H2,24,27).
What are the key properties of benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate?
benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate has a molecular weight of 401.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-carbamoyl-2-(4-methoxyphenyl)benzimidazole-1-carboxylate is sourced from PubChem (CID 10834881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).