benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole

C21H18N4O2 — CID 67481934

IUPACbenzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
SMILESNC(=O)c1ccc(C(N)=O)cc1.c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H10N2.C8H8N2O2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;9-7(11)5-1-2-6(4-3-5)8(10)12/h1-9H,(H,14,15);1-4H,(H2,9,11)(H2,10,12)
InChIKeyWPOXKGMXXBKZJX-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.11
Rot. Bonds3

About benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole

benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole (PubChem CID 67481934) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Namebenzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
PubChem CID67481934
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Namebenzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
SMILESNC(=O)c1ccc(C(N)=O)cc1.c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H10N2.C8H8N2O2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;9-7(11)5-1-2-6(4-3-5)8(10)12/h1-9H,(H,14,15);1-4H,(H2,9,11)(H2,10,12)
InChIKeyWPOXKGMXXBKZJX-UHFFFAOYSA-N
XLogP3.11
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-phenyl-1H-benzimidazole;zinc
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CID 173061121
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
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2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(4-aminophenyl)-3H-benzimidazol-5-amine;benzene-1,4-dicarboxamide
CID 174846726
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate
CID 91673657
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
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CID 23510026

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole?
The IUPAC name of benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole (CID 67481934) is benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole.
What is the SMILES notation for benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole?
The canonical SMILES for benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole is NC(=O)c1ccc(C(N)=O)cc1.c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole?
The InChIKey is WPOXKGMXXBKZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.C8H8N2O2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;9-7(11)5-1-2-6(4-3-5)8(10)12/h1-9H,(H,14,15);1-4H,(H2,9,11)(H2,10,12).
What are the key properties of benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole?
benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole has a molecular weight of 358.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole is sourced from PubChem (CID 67481934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).