methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate

C16H13N3O3 — CID 4030

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IUPACmethyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyOPXLLQIJSORQAM-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.97
Rot. Bonds3

About methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate

methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate (PubChem CID 4030) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
PubChem CID4030
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Namemethyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyOPXLLQIJSORQAM-UHFFFAOYSA-N
XLogP2.97
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Flubendazole
CID 35802
Nocodazole
CID 4122
Parbendazole
CID 26596
Aminomebendazole
CID 40320
Cyclobendazole
CID 35803
2-(1H-1,3-benzodiazol-2-yl)-1-(4-nitrophenyl)ethan-1-one
CID 3749366
N-(1H-benzo[d]imidazol-2-yl)-3-nitrobenzamide
CID 3572750
Benzamide, N-1H-benzimidazol-2-yl-4-nitro-
CID 3761604
2-(1H-Benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
CID 2386123
(1H-Benzimidazol-6-yl)(phenyl)methanone
CID 648179
Benzimidazole-urea, 37
CID 10142514
2-Phenylbenzimidazole-4-carboxamide
CID 10823781

Frequently Asked Questions

What is the IUPAC name of methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate (CID 4030) is methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate is COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is OPXLLQIJSORQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21).
What are the key properties of methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate?
methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 295.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 4030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).