N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide

C25H25N3O4 — CID 5235716

IUPACN-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
SMILESCOc1cc(-n2cnc3cc(C(=O)NCCc4ccccc4)ccc32)cc(OC)c1OC
InChIInChI=1S/C25H25N3O4/c1-30-22-14-19(15-23(31-2)24(22)32-3)28-16-27-20-13-18(9-10-21(20)28)25(29)26-12-11-17-7-5-4-6-8-17/h4-10,13-16H,11-12H2,1-3H3,(H,26,29)
InChIKeyXDQPTYGMEIGBGJ-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.02
Rot. Bonds8

About N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide

N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide (PubChem CID 5235716) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
PubChem CID5235716
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
SMILESCOc1cc(-n2cnc3cc(C(=O)NCCc4ccccc4)ccc32)cc(OC)c1OC
InChIInChI=1S/C25H25N3O4/c1-30-22-14-19(15-23(31-2)24(22)32-3)28-16-27-20-13-18(9-10-21(20)28)25(29)26-12-11-17-7-5-4-6-8-17/h4-10,13-16H,11-12H2,1-3H3,(H,26,29)
InChIKeyXDQPTYGMEIGBGJ-UHFFFAOYSA-N
XLogP4.02
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822
N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
CID 5012814
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3662061
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 146025489
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide
CID 45491616
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55707132
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide (CID 5235716) is N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide is COc1cc(-n2cnc3cc(C(=O)NCCc4ccccc4)ccc32)cc(OC)c1OC.
What is the InChIKey of N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide?
The InChIKey is XDQPTYGMEIGBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-30-22-14-19(15-23(31-2)24(22)32-3)28-16-27-20-13-18(9-10-21(20)28)25(29)26-12-11-17-7-5-4-6-8-17/h4-10,13-16H,11-12H2,1-3H3,(H,26,29).
What are the key properties of N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide?
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 5235716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).