4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide

C32H34N4O — CID 59530546

IUPAC4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide
SMILESCCN(CC)c1cc2nc(-c3cccc4ccccc34)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C32H34N4O/c1-6-36(7-2)29-20-27-26(33-30(34-27)25-14-10-12-21-11-8-9-13-24(21)25)19-28(29)35-31(37)22-15-17-23(18-16-22)32(3,4)5/h8-20H,6-7H2,1-5H3,(H,33,34)(H,35,37)
InChIKeyCBJITDWFQCMAPQ-UHFFFAOYSA-N
MW490.65 g/mol
LogP7.78
Rot. Bonds6

About 4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide

4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide (PubChem CID 59530546) has the molecular formula C32H34N4O and a molecular weight of 490.65 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide
PubChem CID59530546
Molecular FormulaC32H34N4O
Molecular Weight490.65 g/mol
Exact Mass490.27
IUPAC Name4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide
SMILESCCN(CC)c1cc2nc(-c3cccc4ccccc34)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C32H34N4O/c1-6-36(7-2)29-20-27-26(33-30(34-27)25-14-10-12-21-11-8-9-13-24(21)25)19-28(29)35-31(37)22-15-17-23(18-16-22)32(3,4)5/h8-20H,6-7H2,1-5H3,(H,33,34)(H,35,37)
InChIKeyCBJITDWFQCMAPQ-UHFFFAOYSA-N
XLogP7.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide
CID 68511451
2-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]-1-(4-methylphenyl)ethanone
CID 59530517
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide
CID 59530569
N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide
CID 59530585
4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 59530548
N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide
CID 59530501
prop-2-enyl N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]carbamate
CID 59530504
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-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965561
N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
CID 112809550
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 167924073

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide (CID 59530546) is 4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide is CCN(CC)c1cc2nc(-c3cccc4ccccc34)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide?
The InChIKey is CBJITDWFQCMAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O/c1-6-36(7-2)29-20-27-26(33-30(34-27)25-14-10-12-21-11-8-9-13-24(21)25)19-28(29)35-31(37)22-15-17-23(18-16-22)32(3,4)5/h8-20H,6-7H2,1-5H3,(H,33,34)(H,35,37).
What are the key properties of 4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide?
4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide has a molecular weight of 490.65 g/mol, XLogP of 7.78, 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-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 59530546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).