1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one

C16H17N3O — CID 171746170

IUPAC1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one
SMILESCC(C)c1ccc(-n2c(=O)n(C)c3ccccc32)cn1
InChIInChI=1S/C16H17N3O/c1-11(2)13-9-8-12(10-17-13)19-15-7-5-4-6-14(15)18(3)16(19)20/h4-11H,1-3H3
InChIKeyNDWNSCGHDXPCSW-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.85
Rot. Bonds2

About 1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one

1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one (PubChem CID 171746170) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one
PubChem CID171746170
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one
SMILESCC(C)c1ccc(-n2c(=O)n(C)c3ccccc32)cn1
InChIInChI=1S/C16H17N3O/c1-11(2)13-9-8-12(10-17-13)19-15-7-5-4-6-14(15)18(3)16(19)20/h4-11H,1-3H3
InChIKeyNDWNSCGHDXPCSW-UHFFFAOYSA-N
XLogP2.85
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one?
The IUPAC name of 1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one (CID 171746170) is 1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one is CC(C)c1ccc(-n2c(=O)n(C)c3ccccc32)cn1.
What is the InChIKey of 1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one?
The InChIKey is NDWNSCGHDXPCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11(2)13-9-8-12(10-17-13)19-15-7-5-4-6-14(15)18(3)16(19)20/h4-11H,1-3H3.
What are the key properties of 1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one?
1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one is sourced from PubChem (CID 171746170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).