N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide

C29H27N5O2 — CID 134083673

IUPACN-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide
SMILESCOc1ccc2nc(C(Cc3ccccc3)NC(=O)c3cnccn3)n(CCc3ccccc3)c2c1
InChIInChI=1S/C29H27N5O2/c1-36-23-12-13-24-27(19-23)34(17-14-21-8-4-2-5-9-21)28(32-24)25(18-22-10-6-3-7-11-22)33-29(35)26-20-30-15-16-31-26/h2-13,15-16,19-20,25H,14,17-18H2,1H3,(H,33,35)
InChIKeyGHLUXTYNEPAJOS-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.79
Rot. Bonds9

About N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide

N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide (PubChem CID 134083673) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide
PubChem CID134083673
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC NameN-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide
SMILESCOc1ccc2nc(C(Cc3ccccc3)NC(=O)c3cnccn3)n(CCc3ccccc3)c2c1
InChIInChI=1S/C29H27N5O2/c1-36-23-12-13-24-27(19-23)34(17-14-21-8-4-2-5-9-21)28(32-24)25(18-22-10-6-3-7-11-22)33-29(35)26-20-30-15-16-31-26/h2-13,15-16,19-20,25H,14,17-18H2,1H3,(H,33,35)
InChIKeyGHLUXTYNEPAJOS-UHFFFAOYSA-N
XLogP4.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 134083619
N-[2-(1H-indol-3-yl)-1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 134083679
N-[1-[1-(2-hydroxyethyl)benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 4738031
N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 134083490
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972591
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide
CID 110204364
1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
CID 134083782
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 134083522
N-[1-[4-[(2,4-dimethoxyphenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 68722519
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 91821956
N-[1-(1-butyl-5-propylsulfanylbenzimidazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide
CID 134083552
3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007935

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide (CID 134083673) is N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide is COc1ccc2nc(C(Cc3ccccc3)NC(=O)c3cnccn3)n(CCc3ccccc3)c2c1.
What is the InChIKey of N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide?
The InChIKey is GHLUXTYNEPAJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2/c1-36-23-12-13-24-27(19-23)34(17-14-21-8-4-2-5-9-21)28(32-24)25(18-22-10-6-3-7-11-22)33-29(35)26-20-30-15-16-31-26/h2-13,15-16,19-20,25H,14,17-18H2,1H3,(H,33,35).
What are the key properties of N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide?
N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-methoxy-1-(2-phenylethyl)benzimidazol-2-yl]-2-phenylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 134083673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).