N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide

C22H21N5O — CID 67113871

IUPACN-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)cc1
InChIInChI=1S/C22H21N5O/c1-27(2)19-10-8-17(9-11-19)25-16-4-6-18(7-5-16)26-22(28)15-3-12-20-21(13-15)24-14-23-20/h3-14,25H,1-2H3,(H,23,24)(H,26,28)
InChIKeyOVZMRVPAGPUXHC-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.62
Rot. Bonds5

About N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide

N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 67113871) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID67113871
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)cc1
InChIInChI=1S/C22H21N5O/c1-27(2)19-10-8-17(9-11-19)25-16-4-6-18(7-5-16)26-22(28)15-3-12-20-21(13-15)24-14-23-20/h3-14,25H,1-2H3,(H,23,24)(H,26,28)
InChIKeyOVZMRVPAGPUXHC-UHFFFAOYSA-N
XLogP4.62
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110772495
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-(3H-benzimidazol-5-yl)-4-[[4-(dimethylamino)benzoyl]amino]-N-[4-(4-hydroxypiperidin-1-yl)phenyl]benzamide
CID 67113453
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 64788874
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide (CID 67113871) is N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide is CN(C)c1ccc(Nc2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)cc1.
What is the InChIKey of N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OVZMRVPAGPUXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-27(2)19-10-8-17(9-11-19)25-16-4-6-18(7-5-16)26-22(28)15-3-12-20-21(13-15)24-14-23-20/h3-14,25H,1-2H3,(H,23,24)(H,26,28).
What are the key properties of N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide?
N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 67113871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).