5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one

C14H12N2O3 — CID 79095077

IUPAC5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCCc1ccc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1
InChIInChI=1S/C14H12N2O3/c1-2-9-4-6-12(19-9)13(17)8-3-5-10-11(7-8)16-14(18)15-10/h3-7H,2H2,1H3,(H2,15,16,18)
InChIKeyANOXRSCVDGVXHQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.24
Rot. Bonds3

About 5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one

5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 79095077) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID79095077
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCCc1ccc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1
InChIInChI=1S/C14H12N2O3/c1-2-9-4-6-12(19-9)13(17)8-3-5-10-11(7-8)16-14(18)15-10/h3-7H,2H2,1H3,(H2,15,16,18)
InChIKeyANOXRSCVDGVXHQ-UHFFFAOYSA-N
XLogP2.24
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone
CID 63194528
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692366
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81283012
(3-cyclopropyloxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 115813103
5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
CID 116917457
(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 104656982
5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338650
[3-bromo-4-(2-methoxyethoxy)phenyl]-(5-ethylfuran-2-yl)methanone
CID 104657127
5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79096507
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 18002813

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 79095077) is 5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is CCc1ccc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1.
What is the InChIKey of 5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ANOXRSCVDGVXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-2-9-4-6-12(19-9)13(17)8-3-5-10-11(7-8)16-14(18)15-10/h3-7H,2H2,1H3,(H2,15,16,18).
What are the key properties of 5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 256.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 79095077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).