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

C26H34N4O — CID 72793621

IUPAC4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide
SMILESCN(C)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H34N4O/c1-26(2,3)19-13-11-18(12-14-19)25(31)29-22-15-20-21(16-23(22)30(4)5)28-24(27-20)17-9-7-6-8-10-17/h11-17H,6-10H2,1-5H3,(H,27,28)(H,29,31)
InChIKeyWHJOZFIBAJLGLQ-UHFFFAOYSA-N
MW418.59 g/mol
LogP6.23
Rot. Bonds4

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

4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide (PubChem CID 72793621) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide
PubChem CID72793621
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide
SMILESCN(C)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H34N4O/c1-26(2,3)19-13-11-18(12-14-19)25(31)29-22-15-20-21(16-23(22)30(4)5)28-24(27-20)17-9-7-6-8-10-17/h11-17H,6-10H2,1-5H3,(H,27,28)(H,29,31)
InChIKeyWHJOZFIBAJLGLQ-UHFFFAOYSA-N
XLogP6.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-Benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
CID 2386123
N-[(1H-1,3-benzodiazol-2-yl)methyl]benzamide
CID 687915
6-(4-fluorophenyl)-N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]pyridine-3-carboxamide
CID 9978508
N-{2-[isopropyl(methyl)amino]-1H-benzimidazol-6-yl}-3-[4-(trifluoromethyl)phenyl]propanamide
CID 10024171
2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11960733
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide
CID 25110758
N-[2-benzamido-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-N-methylbenzamide
CID 25190503
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-phenylbenzamide
CID 25190507
2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190732
N-[2-[cyclopropyl(methyl)amino]-3H-benzimidazol-5-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 44143494
N-[2-[cyclopentyl(methyl)amino]-3H-benzimidazol-5-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 44143495
N-[2-[cyclohexyl(methyl)amino]-3H-benzimidazol-5-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 44143496

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide (CID 72793621) is 4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide is CN(C)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is WHJOZFIBAJLGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-26(2,3)19-13-11-18(12-14-19)25(31)29-22-15-20-21(16-23(22)30(4)5)28-24(27-20)17-9-7-6-8-10-17/h11-17H,6-10H2,1-5H3,(H,27,28)(H,29,31).
What are the key properties of 4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide?
4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 418.59 g/mol, XLogP of 6.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 72793621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).