N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide

C29H26N4O — CID 67686397

IUPACN-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3nc(-c4ccc(Cc5ccccc5)cc4)[nH]c3c2)cc1
InChIInChI=1S/C29H26N4O/c1-33(2)25-15-12-23(13-16-25)29(34)30-24-14-17-26-27(19-24)32-28(31-26)22-10-8-21(9-11-22)18-20-6-4-3-5-7-20/h3-17,19H,18H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyRZVBKIUSXHFHCH-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.14
Rot. Bonds6

About N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide

N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide (PubChem CID 67686397) has the molecular formula C29H26N4O and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
PubChem CID67686397
Molecular FormulaC29H26N4O
Molecular Weight446.55 g/mol
Exact Mass446.21
IUPAC NameN-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3nc(-c4ccc(Cc5ccccc5)cc4)[nH]c3c2)cc1
InChIInChI=1S/C29H26N4O/c1-33(2)25-15-12-23(13-16-25)29(34)30-24-14-17-26-27(19-24)32-28(31-26)22-10-8-21(9-11-22)18-20-6-4-3-5-7-20/h3-17,19H,18H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyRZVBKIUSXHFHCH-UHFFFAOYSA-N
XLogP6.14
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 134373088
N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide
CID 84582445
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide (CID 67686397) is N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2ccc3nc(-c4ccc(Cc5ccccc5)cc4)[nH]c3c2)cc1.
What is the InChIKey of N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide?
The InChIKey is RZVBKIUSXHFHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O/c1-33(2)25-15-12-23(13-16-25)29(34)30-24-14-17-26-27(19-24)32-28(31-26)22-10-8-21(9-11-22)18-20-6-4-3-5-7-20/h3-17,19H,18H2,1-2H3,(H,30,34)(H,31,32).
What are the key properties of N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide?
N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide has a molecular weight of 446.55 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 67686397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).