4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

C18H18N6O2 — CID 135681587

IUPAC4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCO)cc[nH]c3=O)nc12
InChIInChI=1S/C18H18N6O2/c1-11-8-12(24-6-4-19-10-24)9-14-16(11)23-17(22-14)15-13(20-5-7-25)2-3-21-18(15)26/h2-4,6,8-10,25H,5,7H2,1H3,(H,22,23)(H2,20,21,26)
InChIKeyVVZOBHYMSBNVGH-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.82
Rot. Bonds5

About 4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 135681587) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID135681587
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCO)cc[nH]c3=O)nc12
InChIInChI=1S/C18H18N6O2/c1-11-8-12(24-6-4-19-10-24)9-14-16(11)23-17(22-14)15-13(20-5-7-25)2-3-21-18(15)26/h2-4,6,8-10,25H,5,7H2,1H3,(H,22,23)(H2,20,21,26)
InChIKeyVVZOBHYMSBNVGH-UHFFFAOYSA-N
XLogP1.82
TPSA111.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 135681587) is 4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCO)cc[nH]c3=O)nc12.
What is the InChIKey of 4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is VVZOBHYMSBNVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-11-8-12(24-6-4-19-10-24)9-14-16(11)23-17(22-14)15-13(20-5-7-25)2-3-21-18(15)26/h2-4,6,8-10,25H,5,7H2,1H3,(H,22,23)(H2,20,21,26).
What are the key properties of 4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 350.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135681587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).