N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide

C24H26N6O3 — CID 10204006

IUPACN-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCOc1ccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4nc[nH]c4c3)c2=O)cc1
InChIInChI=1S/C24H26N6O3/c1-16-12-27-23(25-10-9-17-3-6-19(33-2)7-4-17)24(32)30(16)14-22(31)26-13-18-5-8-20-21(11-18)29-15-28-20/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H,25,27)(H,26,31)(H,28,29)
InChIKeyONZJIEKRQSNWMY-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.41
Rot. Bonds9

About N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide

N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide (PubChem CID 10204006) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
PubChem CID10204006
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCOc1ccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4nc[nH]c4c3)c2=O)cc1
InChIInChI=1S/C24H26N6O3/c1-16-12-27-23(25-10-9-17-3-6-19(33-2)7-4-17)24(32)30(16)14-22(31)26-13-18-5-8-20-21(11-18)29-15-28-20/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H,25,27)(H,26,31)(H,28,29)
InChIKeyONZJIEKRQSNWMY-UHFFFAOYSA-N
XLogP2.41
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide (CID 10204006) is N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide is COc1ccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4nc[nH]c4c3)c2=O)cc1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The InChIKey is ONZJIEKRQSNWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-16-12-27-23(25-10-9-17-3-6-19(33-2)7-4-17)24(32)30(16)14-22(31)26-13-18-5-8-20-21(11-18)29-15-28-20/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H,25,27)(H,26,31)(H,28,29).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide has a molecular weight of 446.51 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide is sourced from PubChem (CID 10204006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).