ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate

C15H14N4O3 — CID 14740805

IUPACethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2ccc(C(=O)c3ccc[nH]3)cc2[nH]1
InChIInChI=1S/C15H14N4O3/c1-2-22-15(21)19-14-17-10-6-5-9(8-12(10)18-14)13(20)11-4-3-7-16-11/h3-8,16H,2H2,1H3,(H2,17,18,19,21)
InChIKeyDHNWCADMLNMIGS-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.69
Rot. Bonds4

About ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate

ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate (PubChem CID 14740805) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
PubChem CID14740805
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Nameethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2ccc(C(=O)c3ccc[nH]3)cc2[nH]1
InChIInChI=1S/C15H14N4O3/c1-2-22-15(21)19-14-17-10-6-5-9(8-12(10)18-14)13(20)11-4-3-7-16-11/h3-8,16H,2H2,1H3,(H2,17,18,19,21)
InChIKeyDHNWCADMLNMIGS-UHFFFAOYSA-N
XLogP2.69
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride
CID 88721459
ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate
CID 4109942
2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
CID 138679261
ethyl N-[6-(6,7-difluoro-4-oxo-3H-isoquinolin-1-yl)-1H-benzimidazol-2-yl]carbamate
CID 160533402
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
ethyl N-[6-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methylcarbamoyl]-1H-benzimidazol-2-yl]carbamate
CID 172966284
ethyl N-[6-methyl-5-(4-oxo-3H-isoquinolin-1-yl)-1H-benzimidazol-2-yl]carbamate
CID 159741080
2-[(6-ethoxycarbonyl-1H-benzimidazol-2-yl)amino]propanoic acid
CID 82563190
cyclopropylmethyl 2-(cyclopropylmethoxycarbonylamino)-3H-benzimidazole-5-carboxylate
CID 15723785
methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate
CID 118728666
ethyl 2-(2,6-difluoroanilino)-3H-benzimidazole-5-carboxylate
CID 82563145
benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate
CID 67044728

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate (CID 14740805) is ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate is CCOC(=O)Nc1nc2ccc(C(=O)c3ccc[nH]3)cc2[nH]1.
What is the InChIKey of ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate?
The InChIKey is DHNWCADMLNMIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-2-22-15(21)19-14-17-10-6-5-9(8-12(10)18-14)13(20)11-4-3-7-16-11/h3-8,16H,2H2,1H3,(H2,17,18,19,21).
What are the key properties of ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate?
ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate has a molecular weight of 298.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 14740805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).