N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide

C26H27N3O — CID 70211427

IUPACN-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C)C(=O)c1ccccc1
InChIInChI=1S/C26H27N3O/c1-4-14-29(26(30)20-8-6-5-7-9-20)17-23-15-21(11-10-18(23)2)22-12-13-24-25(16-22)28-19(3)27-24/h5-13,15-16H,4,14,17H2,1-3H3,(H,27,28)
InChIKeyKRMCCGFHDWWQAF-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.90
Rot. Bonds6

About N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide

N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide (PubChem CID 70211427) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide
PubChem CID70211427
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC NameN-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C)C(=O)c1ccccc1
InChIInChI=1S/C26H27N3O/c1-4-14-29(26(30)20-8-6-5-7-9-20)17-23-15-21(11-10-18(23)2)22-12-13-24-25(16-22)28-19(3)27-24/h5-13,15-16H,4,14,17H2,1-3H3,(H,27,28)
InChIKeyKRMCCGFHDWWQAF-UHFFFAOYSA-N
XLogP5.90
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide?
The IUPAC name of N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide (CID 70211427) is N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide.
What is the SMILES notation for N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide?
The canonical SMILES for N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide is CCCN(Cc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C)C(=O)c1ccccc1.
What is the InChIKey of N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide?
The InChIKey is KRMCCGFHDWWQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-4-14-29(26(30)20-8-6-5-7-9-20)17-23-15-21(11-10-18(23)2)22-12-13-24-25(16-22)28-19(3)27-24/h5-13,15-16H,4,14,17H2,1-3H3,(H,27,28).
What are the key properties of N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide?
N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide has a molecular weight of 397.52 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide is sourced from PubChem (CID 70211427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).