4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide

C28H32N4O — CID 68511451

IUPAC4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide
SMILESCCN(CC)c1cc2nc(-c3ccccc3)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H32N4O/c1-6-32(7-2)25-18-23-22(29-26(30-23)19-11-9-8-10-12-19)17-24(25)31-27(33)20-13-15-21(16-14-20)28(3,4)5/h8-18H,6-7H2,1-5H3,(H,29,30)(H,31,33)
InChIKeyPCAUURNADISOSX-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.63
Rot. Bonds6

About 4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide

4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide (PubChem CID 68511451) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide
PubChem CID68511451
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide
SMILESCCN(CC)c1cc2nc(-c3ccccc3)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H32N4O/c1-6-32(7-2)25-18-23-22(29-26(30-23)19-11-9-8-10-12-19)17-24(25)31-27(33)20-13-15-21(16-14-20)28(3,4)5/h8-18H,6-7H2,1-5H3,(H,29,30)(H,31,33)
InChIKeyPCAUURNADISOSX-UHFFFAOYSA-N
XLogP6.63
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide
CID 59530546
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide
CID 59530569
4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 59530548
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
2-(4-tert-butylphenyl)-5-N,5-N-diethyl-1H-benzimidazole-5,6-diamine
CID 59530582
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
CID 17093013
N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide
CID 72793866
4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide
CID 25101001
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide
CID 17372812
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide
CID 59530587
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide (CID 68511451) is 4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide is CCN(CC)c1cc2nc(-c3ccccc3)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide?
The InChIKey is PCAUURNADISOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c1-6-32(7-2)25-18-23-22(29-26(30-23)19-11-9-8-10-12-19)17-24(25)31-27(33)20-13-15-21(16-14-20)28(3,4)5/h8-18H,6-7H2,1-5H3,(H,29,30)(H,31,33).
What are the key properties of 4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide?
4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide has a molecular weight of 440.59 g/mol, XLogP of 6.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 68511451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).