4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide

C28H31N3O3 — CID 18511858

IUPAC4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(-n2c(CN(C(=O)c3ccc(OC)cc3C)C(C)C)nc3cc(C)ccc32)cc1
InChIInChI=1S/C28H31N3O3/c1-18(2)30(28(32)24-13-12-23(34-6)16-20(24)4)17-27-29-25-15-19(3)7-14-26(25)31(27)21-8-10-22(33-5)11-9-21/h7-16,18H,17H2,1-6H3
InChIKeyFWBQIJQPIIZCNU-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.71
Rot. Bonds7

About 4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide

4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide (PubChem CID 18511858) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide
PubChem CID18511858
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(-n2c(CN(C(=O)c3ccc(OC)cc3C)C(C)C)nc3cc(C)ccc32)cc1
InChIInChI=1S/C28H31N3O3/c1-18(2)30(28(32)24-13-12-23(34-6)16-20(24)4)17-27-29-25-15-19(3)7-14-26(25)31(27)21-8-10-22(33-5)11-9-21/h7-16,18H,17H2,1-6H3
InChIKeyFWBQIJQPIIZCNU-UHFFFAOYSA-N
XLogP5.71
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 59046945
2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511837
2-(1-chloroethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43666710
2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70015882
N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 15546075
1-(3-methoxyphenyl)-5-methyl-2-propylbenzimidazole
CID 143683886
2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid
CID 119913764
(2S)-2-amino-N-hydroxy-4-[1-(4-methoxyphenyl)-5,6-dimethylbenzimidazol-2-yl]butanamide
CID 87750479
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 3574227
2,4-dimethoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 2991778

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide (CID 18511858) is 4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide is COc1ccc(-n2c(CN(C(=O)c3ccc(OC)cc3C)C(C)C)nc3cc(C)ccc32)cc1.
What is the InChIKey of 4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is FWBQIJQPIIZCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-18(2)30(28(32)24-13-12-23(34-6)16-20(24)4)17-27-29-25-15-19(3)7-14-26(25)31(27)21-8-10-22(33-5)11-9-21/h7-16,18H,17H2,1-6H3.
What are the key properties of 4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide?
4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 457.57 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 18511858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).