[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone

C22H14N4O2 — CID 70019507

IUPAC[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
SMILESO=C(c1ccc(C(=O)c2nc3ccccc3[nH]2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H14N4O2/c27-19(21-23-15-5-1-2-6-16(15)24-21)13-9-11-14(12-10-13)20(28)22-25-17-7-3-4-8-18(17)26-22/h1-12H,(H,23,24)(H,25,26)
InChIKeyOWJXHFMMRDWKBC-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.90
Rot. Bonds4

About [4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone

[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone (PubChem CID 70019507) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is [4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
PubChem CID70019507
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
SMILESO=C(c1ccc(C(=O)c2nc3ccccc3[nH]2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H14N4O2/c27-19(21-23-15-5-1-2-6-16(15)24-21)13-9-11-14(12-10-13)20(28)22-25-17-7-3-4-8-18(17)26-22/h1-12H,(H,23,24)(H,25,26)
InChIKeyOWJXHFMMRDWKBC-UHFFFAOYSA-N
XLogP3.90
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone
CID 13162273
(6-hydroxy-1H-benzimidazol-2-yl)-phenylmethanone
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3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione
CID 19354480
1H-benzimidazol-2-yl-(2-bromophenyl)methanone
CID 13260204
1H-benzimidazol-2-yl-(1-butylpyridin-1-ium-4-yl)methanone iodide
CID 11036941
(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
CID 57126569
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326971
1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
CID 59351281

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone?
The IUPAC name of [4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone (CID 70019507) is [4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for [4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone?
The canonical SMILES for [4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone is O=C(c1ccc(C(=O)c2nc3ccccc3[nH]2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of [4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone?
The InChIKey is OWJXHFMMRDWKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c27-19(21-23-15-5-1-2-6-16(15)24-21)13-9-11-14(12-10-13)20(28)22-25-17-7-3-4-8-18(17)26-22/h1-12H,(H,23,24)(H,25,26).
What are the key properties of [4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone?
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone has a molecular weight of 366.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 70019507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).