1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane

C18H19N5O — CID 160788987

IUPAC1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane
SMILESC.Cc1cc(=O)n(-c2ccc3nc[nH]c3c2)cc1-c1cnn(C)c1
InChIInChI=1S/C17H15N5O.CH4/c1-11-5-17(23)22(9-14(11)12-7-20-21(2)8-12)13-3-4-15-16(6-13)19-10-18-15;/h3-10H,1-2H3,(H,18,19);1H4
InChIKeySBPAUCUZWOYTQT-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.06
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane

1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane (PubChem CID 160788987) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane
PubChem CID160788987
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane
SMILESC.Cc1cc(=O)n(-c2ccc3nc[nH]c3c2)cc1-c1cnn(C)c1
InChIInChI=1S/C17H15N5O.CH4/c1-11-5-17(23)22(9-14(11)12-7-20-21(2)8-12)13-3-4-15-16(6-13)19-10-18-15;/h3-10H,1-2H3,(H,18,19);1H4
InChIKeySBPAUCUZWOYTQT-UHFFFAOYSA-N
XLogP3.06
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-1-(3H-benzimidazol-5-yl)-4-[2,6-difluoro-4-(1-methylpyrazol-4-yl)phenyl]-3-(oxetan-3-yl)azetidin-2-one
CID 170400617
7-(1-methylpyrazol-4-yl)-6-nitro-3H-quinazolin-4-one
CID 146268491
1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one
CID 54708010
1-[4-(fluoromethoxy)phenyl]-4-(3-fluorophenoxy)-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 122541211
2-[3-(3H-benzimidazol-5-yl)phenyl]-5-hydroxy-3-methylpyrimidin-4-one
CID 67418389
1-(3H-benzimidazol-5-yl)-3-cyclopropyl-4-[2-methyl-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]azetidin-2-one
CID 167272330
N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47364492
3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121293033
4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one
CID 141171310
1-[4-(fluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylamino]-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 129093387
1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione
CID 163231131
N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide
CID 134318102

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane (CID 160788987) is 1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane is C.Cc1cc(=O)n(-c2ccc3nc[nH]c3c2)cc1-c1cnn(C)c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane?
The InChIKey is SBPAUCUZWOYTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O.CH4/c1-11-5-17(23)22(9-14(11)12-7-20-21(2)8-12)13-3-4-15-16(6-13)19-10-18-15;/h3-10H,1-2H3,(H,18,19);1H4.
What are the key properties of 1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane?
1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane has a molecular weight of 321.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one;methane is sourced from PubChem (CID 160788987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).