bis(3H-benzimidazol-5-yl)methanone

C15H10N4O — CID 71332789

IUPACbis(3H-benzimidazol-5-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H10N4O/c20-15(9-1-3-11-13(5-9)18-7-16-11)10-2-4-12-14(6-10)19-8-17-12/h1-8H,(H,16,18)(H,17,19)
InChIKeyNLAUDUSZZPEUAU-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.67
Rot. Bonds2

About bis(3H-benzimidazol-5-yl)methanone

bis(3H-benzimidazol-5-yl)methanone (PubChem CID 71332789) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is bis(3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Namebis(3H-benzimidazol-5-yl)methanone
PubChem CID71332789
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Namebis(3H-benzimidazol-5-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H10N4O/c20-15(9-1-3-11-13(5-9)18-7-16-11)10-2-4-12-14(6-10)19-8-17-12/h1-8H,(H,16,18)(H,17,19)
InChIKeyNLAUDUSZZPEUAU-UHFFFAOYSA-N
XLogP2.67
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione
CID 90354958
1-(3H-benzimidazol-5-yl)-3-chloropropan-1-one
CID 82052582
1-(3H-benzimidazol-5-yl)-3-sulfanylpropan-1-one
CID 116830801
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
1-(3H-benzimidazol-5-yl)-3-(dimethylamino)prop-2-yn-1-one
CID 116825527
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
2-[3H-benzimidazole-5-carbonyl(tert-butyl)amino]acetic acid
CID 79265620
N'-amino-3H-benzimidazole-5-carboximidamide
CID 58433226
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
2-(3H-benzimidazole-5-carbonyl)butanoic acid
CID 116922875
[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone
CID 116921281

Frequently Asked Questions

What is the IUPAC name of bis(3H-benzimidazol-5-yl)methanone?
The IUPAC name of bis(3H-benzimidazol-5-yl)methanone (CID 71332789) is bis(3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for bis(3H-benzimidazol-5-yl)methanone?
The canonical SMILES for bis(3H-benzimidazol-5-yl)methanone is O=C(c1ccc2nc[nH]c2c1)c1ccc2nc[nH]c2c1.
What is the InChIKey of bis(3H-benzimidazol-5-yl)methanone?
The InChIKey is NLAUDUSZZPEUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c20-15(9-1-3-11-13(5-9)18-7-16-11)10-2-4-12-14(6-10)19-8-17-12/h1-8H,(H,16,18)(H,17,19).
What are the key properties of bis(3H-benzimidazol-5-yl)methanone?
bis(3H-benzimidazol-5-yl)methanone has a molecular weight of 262.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 71332789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).