4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide

C30H29N5O — CID 141334498

IUPAC4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide
SMILESCN(C)c1ccc(C(=O)N(c2ccccc2)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cc1
InChIInChI=1S/C30H29N5O/c1-33(2)23-14-10-21(11-15-23)29-31-27-19-18-26(20-28(27)32-29)35(25-8-6-5-7-9-25)30(36)22-12-16-24(17-13-22)34(3)4/h5-20H,1-4H3,(H,31,32)
InChIKeyQFHYTXYIRUPVCR-UHFFFAOYSA-N
MW475.60 g/mol
LogP6.34
Rot. Bonds6

About 4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide

4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide (PubChem CID 141334498) has the molecular formula C30H29N5O and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide
PubChem CID141334498
Molecular FormulaC30H29N5O
Molecular Weight475.60 g/mol
Exact Mass475.24
IUPAC Name4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide
SMILESCN(C)c1ccc(C(=O)N(c2ccccc2)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cc1
InChIInChI=1S/C30H29N5O/c1-33(2)23-14-10-21(11-15-23)29-31-27-19-18-26(20-28(27)32-29)35(25-8-6-5-7-9-25)30(36)22-12-16-24(17-13-22)34(3)4/h5-20H,1-4H3,(H,31,32)
InChIKeyQFHYTXYIRUPVCR-UHFFFAOYSA-N
XLogP6.34
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide
CID 174690572
N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
CID 67686397
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
CID 90927480
N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100579292
[1-oxo-1-(N-phenylanilino)propan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23888110
N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine
CID 123138623
2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxylic acid;6-propan-2-ylpyridin-3-amine
CID 175415381
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide (CID 141334498) is 4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide is CN(C)c1ccc(C(=O)N(c2ccccc2)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide?
The InChIKey is QFHYTXYIRUPVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O/c1-33(2)23-14-10-21(11-15-23)29-31-27-19-18-26(20-28(27)32-29)35(25-8-6-5-7-9-25)30(36)22-12-16-24(17-13-22)34(3)4/h5-20H,1-4H3,(H,31,32).
What are the key properties of 4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide?
4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide has a molecular weight of 475.60 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide is sourced from PubChem (CID 141334498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).