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

C21H18N6O2 — CID 135681791

IUPAC4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCc4ccco4)cc[nH]c3=O)nc12
InChIInChI=1S/C21H18N6O2/c1-13-9-14(27-7-6-22-12-27)10-17-19(13)26-20(25-17)18-16(4-5-23-21(18)28)24-11-15-3-2-8-29-15/h2-10,12H,11H2,1H3,(H,25,26)(H2,23,24,28)
InChIKeyOMHWQUPAJMLLNA-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.62
Rot. Bonds5

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

4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 135681791) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID135681791
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCc4ccco4)cc[nH]c3=O)nc12
InChIInChI=1S/C21H18N6O2/c1-13-9-14(27-7-6-22-12-27)10-17-19(13)26-20(25-17)18-16(4-5-23-21(18)28)24-11-15-3-2-8-29-15/h2-10,12H,11H2,1H3,(H,25,26)(H2,23,24,28)
InChIKeyOMHWQUPAJMLLNA-UHFFFAOYSA-N
XLogP3.62
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 135681791) is 4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCc4ccco4)cc[nH]c3=O)nc12.
What is the InChIKey of 4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is OMHWQUPAJMLLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-13-9-14(27-7-6-22-12-27)10-17-19(13)26-20(25-17)18-16(4-5-23-21(18)28)24-11-15-3-2-8-29-15/h2-10,12H,11H2,1H3,(H,25,26)(H2,23,24,28).
What are the key properties of 4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 386.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135681791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).