3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one

C22H21N7O — CID 135681720

IUPAC3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one
SMILESCc1cc(C2=NCCN2)cc2[nH]c(-c3c(NCc4ccccn4)cc[nH]c3=O)nc12
InChIInChI=1S/C22H21N7O/c1-13-10-14(20-24-8-9-25-20)11-17-19(13)29-21(28-17)18-16(5-7-26-22(18)30)27-12-15-4-2-3-6-23-15/h2-7,10-11H,8-9,12H2,1H3,(H,24,25)(H,28,29)(H2,26,27,30)
InChIKeyZAYMDZIDOPLGQZ-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.58
Rot. Bonds5

About 3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one

3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one (PubChem CID 135681720) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one
PubChem CID135681720
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one
SMILESCc1cc(C2=NCCN2)cc2[nH]c(-c3c(NCc4ccccn4)cc[nH]c3=O)nc12
InChIInChI=1S/C22H21N7O/c1-13-10-14(20-24-8-9-25-20)11-17-19(13)29-21(28-17)18-16(5-7-26-22(18)30)27-12-15-4-2-3-6-23-15/h2-7,10-11H,8-9,12H2,1H3,(H,24,25)(H,28,29)(H2,26,27,30)
InChIKeyZAYMDZIDOPLGQZ-UHFFFAOYSA-N
XLogP2.58
TPSA110.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one?
The IUPAC name of 3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one (CID 135681720) is 3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one is Cc1cc(C2=NCCN2)cc2[nH]c(-c3c(NCc4ccccn4)cc[nH]c3=O)nc12.
What is the InChIKey of 3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one?
The InChIKey is ZAYMDZIDOPLGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-13-10-14(20-24-8-9-25-20)11-17-19(13)29-21(28-17)18-16(5-7-26-22(18)30)27-12-15-4-2-3-6-23-15/h2-7,10-11H,8-9,12H2,1H3,(H,24,25)(H,28,29)(H2,26,27,30).
What are the key properties of 3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one?
3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one has a molecular weight of 399.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one is sourced from PubChem (CID 135681720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).