3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one

C20H19N9O — CID 135681579

IUPAC3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCn4nccn4)cc[nH]c3=O)nc12
InChIInChI=1S/C20H19N9O/c1-13-10-14(28-8-6-21-12-28)11-16-18(13)27-19(26-16)17-15(2-3-23-20(17)30)22-7-9-29-24-4-5-25-29/h2-6,8,10-12H,7,9H2,1H3,(H,26,27)(H2,22,23,30)
InChIKeyLRXPUXSXEGNBSG-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.12
Rot. Bonds6

About 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one

3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one (PubChem CID 135681579) has the molecular formula C20H19N9O and a molecular weight of 401.43 g/mol. Its IUPAC name is 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one
PubChem CID135681579
Molecular FormulaC20H19N9O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Name3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCn4nccn4)cc[nH]c3=O)nc12
InChIInChI=1S/C20H19N9O/c1-13-10-14(28-8-6-21-12-28)11-16-18(13)27-19(26-16)17-15(2-3-23-20(17)30)22-7-9-29-24-4-5-25-29/h2-6,8,10-12H,7,9H2,1H3,(H,26,27)(H2,22,23,30)
InChIKeyLRXPUXSXEGNBSG-UHFFFAOYSA-N
XLogP2.12
TPSA122.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one?
The IUPAC name of 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one (CID 135681579) is 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one.
What is the SMILES notation for 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one?
The canonical SMILES for 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one is Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCn4nccn4)cc[nH]c3=O)nc12.
What is the InChIKey of 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one?
The InChIKey is LRXPUXSXEGNBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9O/c1-13-10-14(28-8-6-21-12-28)11-16-18(13)27-19(26-16)17-15(2-3-23-20(17)30)22-7-9-29-24-4-5-25-29/h2-6,8,10-12H,7,9H2,1H3,(H,26,27)(H2,22,23,30).
What are the key properties of 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one?
3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one has a molecular weight of 401.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[2-(triazol-2-yl)ethylamino]-1H-pyridin-2-one is sourced from PubChem (CID 135681579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).