N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide

C27H28ClN3O — CID 18511837

IUPACN-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
SMILESCc1cc(C)c(C(=O)N(Cc2nc3ccccc3n2-c2ccc(Cl)cc2)C(C)C)c(C)c1
InChIInChI=1S/C27H28ClN3O/c1-17(2)30(27(32)26-19(4)14-18(3)15-20(26)5)16-25-29-23-8-6-7-9-24(23)31(25)22-12-10-21(28)11-13-22/h6-15,17H,16H2,1-5H3
InChIKeyXWPVDLFGOIFHCQ-UHFFFAOYSA-N
MW445.99 g/mol
LogP6.65
Rot. Bonds5

About N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide

N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide (PubChem CID 18511837) has the molecular formula C27H28ClN3O and a molecular weight of 445.99 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
PubChem CID18511837
Molecular FormulaC27H28ClN3O
Molecular Weight445.99 g/mol
Exact Mass445.19
IUPAC NameN-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
SMILESCc1cc(C)c(C(=O)N(Cc2nc3ccccc3n2-c2ccc(Cl)cc2)C(C)C)c(C)c1
InChIInChI=1S/C27H28ClN3O/c1-17(2)30(27(32)26-19(4)14-18(3)15-20(26)5)16-25-29-23-8-6-7-9-24(23)31(25)22-12-10-21(28)11-13-22/h6-15,17H,16H2,1-5H3
InChIKeyXWPVDLFGOIFHCQ-UHFFFAOYSA-N
XLogP6.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.99
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511814
N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511843
N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 59046945
2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70013857
N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide
CID 70012357
4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide
CID 18511858
2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18732504
2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70015882
2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid
CID 119913764
3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18733019
2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 7855833
N-[[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007398

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide (CID 18511837) is N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide is Cc1cc(C)c(C(=O)N(Cc2nc3ccccc3n2-c2ccc(Cl)cc2)C(C)C)c(C)c1.
What is the InChIKey of N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
The InChIKey is XWPVDLFGOIFHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O/c1-17(2)30(27(32)26-19(4)14-18(3)15-20(26)5)16-25-29-23-8-6-7-9-24(23)31(25)22-12-10-21(28)11-13-22/h6-15,17H,16H2,1-5H3.
What are the key properties of N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide has a molecular weight of 445.99 g/mol, XLogP of 6.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 18511837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).