benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate

C24H19N3O5 — CID 67044728

IUPACbenzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3ccccc3C(=O)OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C24H19N3O5/c1-31-24(30)27-23-25-19-12-11-16(13-20(19)26-23)21(28)17-9-5-6-10-18(17)22(29)32-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H2,25,26,27,30)
InChIKeyPLNPXRUNNRKKPG-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.33
Rot. Bonds6

About benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate

benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate (PubChem CID 67044728) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate.

Molecular Properties

Compound Namebenzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate
PubChem CID67044728
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Namebenzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3ccccc3C(=O)OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C24H19N3O5/c1-31-24(30)27-23-25-19-12-11-16(13-20(19)26-23)21(28)17-9-5-6-10-18(17)22(29)32-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H2,25,26,27,30)
InChIKeyPLNPXRUNNRKKPG-UHFFFAOYSA-N
XLogP4.33
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate
CID 118728666
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
methyl N-[6-[2-[(3-methoxyphenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 91428587
methyl N-[6-[2-[(5-bromo-2-methylphenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 90833199
methyl N-[6-[2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 90879930
methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
CID 23190345
prop-2-enoyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate
CID 10334341
[6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate
CID 87532665
ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
CID 14740805
benzyl N-[(3R)-3-hydroxy-4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CID 57066506
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate?
The IUPAC name of benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate (CID 67044728) is benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate.
What is the SMILES notation for benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate?
The canonical SMILES for benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate is COC(=O)Nc1nc2ccc(C(=O)c3ccccc3C(=O)OCc3ccccc3)cc2[nH]1.
What is the InChIKey of benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate?
The InChIKey is PLNPXRUNNRKKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-31-24(30)27-23-25-19-12-11-16(13-20(19)26-23)21(28)17-9-5-6-10-18(17)22(29)32-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H2,25,26,27,30).
What are the key properties of benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate?
benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate has a molecular weight of 429.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate is sourced from PubChem (CID 67044728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).