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

C23H21N7O — CID 135681778

IUPAC3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(2-pyridin-2-ylethylamino)-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCc4ccccn4)cc[nH]c3=O)nc12
InChIInChI=1S/C23H21N7O/c1-15-12-17(30-11-10-24-14-30)13-19-21(15)29-22(28-19)20-18(6-9-27-23(20)31)26-8-5-16-4-2-3-7-25-16/h2-4,6-7,9-14H,5,8H2,1H3,(H,28,29)(H2,26,27,31)
InChIKeyITUXVMIFNQWGDA-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.46
Rot. Bonds6

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

3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(2-pyridin-2-ylethylamino)-1H-pyridin-2-one (PubChem CID 135681778) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(2-pyridin-2-ylethylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(2-pyridin-2-ylethylamino)-1H-pyridin-2-one
PubChem CID135681778
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(2-pyridin-2-ylethylamino)-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCc4ccccn4)cc[nH]c3=O)nc12
InChIInChI=1S/C23H21N7O/c1-15-12-17(30-11-10-24-14-30)13-19-21(15)29-22(28-19)20-18(6-9-27-23(20)31)26-8-5-16-4-2-3-7-25-16/h2-4,6-7,9-14H,5,8H2,1H3,(H,28,29)(H2,26,27,31)
InChIKeyITUXVMIFNQWGDA-UHFFFAOYSA-N
XLogP3.46
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-pyridin-2-ylethylamino)-1H-pyridin-2-one?
The IUPAC name of 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(2-pyridin-2-ylethylamino)-1H-pyridin-2-one (CID 135681778) is 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(2-pyridin-2-ylethylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(2-pyridin-2-ylethylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(2-pyridin-2-ylethylamino)-1H-pyridin-2-one is Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCc4ccccn4)cc[nH]c3=O)nc12.
What is the InChIKey of 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(2-pyridin-2-ylethylamino)-1H-pyridin-2-one?
The InChIKey is ITUXVMIFNQWGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-15-12-17(30-11-10-24-14-30)13-19-21(15)29-22(28-19)20-18(6-9-27-23(20)31)26-8-5-16-4-2-3-7-25-16/h2-4,6-7,9-14H,5,8H2,1H3,(H,28,29)(H2,26,27,31).
What are the key properties of 3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(2-pyridin-2-ylethylamino)-1H-pyridin-2-one?
3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-(2-pyridin-2-ylethylamino)-1H-pyridin-2-one has a molecular weight of 411.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 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-pyridin-2-ylethylamino)-1H-pyridin-2-one is sourced from PubChem (CID 135681778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).