N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide

C27H35N3O — CID 16968279

IUPACN-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H35N3O/c1-19(28-26(31)21-10-6-5-7-11-21)25-29-23-12-8-9-13-24(23)30(25)18-20-14-16-22(17-15-20)27(2,3)4/h8-9,12-17,19,21H,5-7,10-11,18H2,1-4H3,(H,28,31)
InChIKeyKWDKKSGCHARMBI-UHFFFAOYSA-N
MW417.60 g/mol
LogP6.14
Rot. Bonds5

About N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide

N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (PubChem CID 16968279) has the molecular formula C27H35N3O and a molecular weight of 417.60 g/mol. Its IUPAC name is N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
PubChem CID16968279
Molecular FormulaC27H35N3O
Molecular Weight417.60 g/mol
Exact Mass417.28
IUPAC NameN-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H35N3O/c1-19(28-26(31)21-10-6-5-7-11-21)25-29-23-12-8-9-13-24(23)30(25)18-20-14-16-22(17-15-20)27(2,3)4/h8-9,12-17,19,21H,5-7,10-11,18H2,1-4H3,(H,28,31)
InChIKeyKWDKKSGCHARMBI-UHFFFAOYSA-N
XLogP6.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968280
N-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968441
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968118
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968262
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969660
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968393
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967041
N-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968299
N-[1-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968304
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 86858410
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (CID 16968279) is N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is KWDKKSGCHARMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O/c1-19(28-26(31)21-10-6-5-7-11-21)25-29-23-12-8-9-13-24(23)30(25)18-20-14-16-22(17-15-20)27(2,3)4/h8-9,12-17,19,21H,5-7,10-11,18H2,1-4H3,(H,28,31).
What are the key properties of N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 417.60 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 16968279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).