N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide

C29H33N3O2 — CID 70012357

IUPACN-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide
SMILESCCCN(Cc1nc2ccccc2n1-c1ccc(OCC)cc1)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C29H33N3O2/c1-6-16-31(29(33)28-21(4)17-20(3)18-22(28)5)19-27-30-25-10-8-9-11-26(25)32(27)23-12-14-24(15-13-23)34-7-2/h8-15,17-18H,6-7,16,19H2,1-5H3
InChIKeyDEIMFXAUEBTTML-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.40
Rot. Bonds8

About N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide

N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide (PubChem CID 70012357) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide
PubChem CID70012357
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide
SMILESCCCN(Cc1nc2ccccc2n1-c1ccc(OCC)cc1)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C29H33N3O2/c1-6-16-31(29(33)28-21(4)17-20(3)18-22(28)5)19-27-30-25-10-8-9-11-26(25)32(27)23-12-14-24(15-13-23)34-7-2/h8-15,17-18H,6-7,16,19H2,1-5H3
InChIKeyDEIMFXAUEBTTML-UHFFFAOYSA-N
XLogP6.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70013857
2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70015882
3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18733019
N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511837
2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18732504
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
N-[[1-(2-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511814
N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 59046945
ethyl 2-[4-(2-ethylbenzimidazol-1-yl)phenyl]propanoate
CID 91163967
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 56534481
N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511843
2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid
CID 119913764

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide?
The IUPAC name of N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide (CID 70012357) is N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide.
What is the SMILES notation for N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide?
The canonical SMILES for N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide is CCCN(Cc1nc2ccccc2n1-c1ccc(OCC)cc1)C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide?
The InChIKey is DEIMFXAUEBTTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-6-16-31(29(33)28-21(4)17-20(3)18-22(28)5)19-27-30-25-10-8-9-11-26(25)32(27)23-12-14-24(15-13-23)34-7-2/h8-15,17-18H,6-7,16,19H2,1-5H3.
What are the key properties of N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide?
N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide has a molecular weight of 455.60 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide is sourced from PubChem (CID 70012357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).