4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide

C22H18N4O3 — CID 154973261

IUPAC4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(-c2ccccc2)c2nc(NC(=O)c3ccc(C(N)=O)cc3)[nH]c12
InChIInChI=1S/C22H18N4O3/c1-29-17-12-11-16(13-5-3-2-4-6-13)18-19(17)25-22(24-18)26-21(28)15-9-7-14(8-10-15)20(23)27/h2-12H,1H3,(H2,23,27)(H2,24,25,26,28)
InChIKeyFGNFDYDSIPZBLT-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.59
Rot. Bonds5

About 4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide

4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide (PubChem CID 154973261) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide
PubChem CID154973261
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(-c2ccccc2)c2nc(NC(=O)c3ccc(C(N)=O)cc3)[nH]c12
InChIInChI=1S/C22H18N4O3/c1-29-17-12-11-16(13-5-3-2-4-6-13)18-19(17)25-22(24-18)26-21(28)15-9-7-14(8-10-15)20(23)27/h2-12H,1H3,(H2,23,27)(H2,24,25,26,28)
InChIKeyFGNFDYDSIPZBLT-UHFFFAOYSA-N
XLogP3.59
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]benzamide
CID 154589282
N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 154589239
N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]pyridine-4-carboxamide
CID 175795176
4-phenyl-N-(4-phenyl-1H-benzimidazol-2-yl)benzamide
CID 21449966
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 22283126
4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 49380377
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10109223
2-[(3,4-dimethoxybenzoyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68972066
4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide
CID 10621568
(4Z,6E)-6-(imidazol-1-ylmethyl)-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)-2-methylideneocta-4,6-dienamide
CID 167233495
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide
CID 22283069

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide (CID 154973261) is 4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide is COc1ccc(-c2ccccc2)c2nc(NC(=O)c3ccc(C(N)=O)cc3)[nH]c12.
What is the InChIKey of 4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide?
The InChIKey is FGNFDYDSIPZBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-29-17-12-11-16(13-5-3-2-4-6-13)18-19(17)25-22(24-18)26-21(28)15-9-7-14(8-10-15)20(23)27/h2-12H,1H3,(H2,23,27)(H2,24,25,26,28).
What are the key properties of 4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide?
4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide has a molecular weight of 386.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-methoxy-4-phenyl-1H-benzimidazol-2-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 154973261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).