7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one

C20H20N4O3 — CID 118093923

IUPAC7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one
SMILESCn1cc(-c2ccc3c([nH]c(=O)n3C)c2OCC2CC2)c2cc[nH]c2c1=O
InChIInChI=1S/C20H20N4O3/c1-23-9-14(12-7-8-21-16(12)19(23)25)13-5-6-15-17(22-20(26)24(15)2)18(13)27-10-11-3-4-11/h5-9,11,21H,3-4,10H2,1-2H3,(H,22,26)
InChIKeyDTFRZVKYMKTJIA-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.50
Rot. Bonds4

About 7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one

7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one (PubChem CID 118093923) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one
PubChem CID118093923
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one
SMILESCn1cc(-c2ccc3c([nH]c(=O)n3C)c2OCC2CC2)c2cc[nH]c2c1=O
InChIInChI=1S/C20H20N4O3/c1-23-9-14(12-7-8-21-16(12)19(23)25)13-5-6-15-17(22-20(26)24(15)2)18(13)27-10-11-3-4-11/h5-9,11,21H,3-4,10H2,1-2H3,(H,22,26)
InChIKeyDTFRZVKYMKTJIA-UHFFFAOYSA-N
XLogP2.50
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one?
The IUPAC name of 7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one (CID 118093923) is 7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one is Cn1cc(-c2ccc3c([nH]c(=O)n3C)c2OCC2CC2)c2cc[nH]c2c1=O.
What is the InChIKey of 7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one?
The InChIKey is DTFRZVKYMKTJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-23-9-14(12-7-8-21-16(12)19(23)25)13-5-6-15-17(22-20(26)24(15)2)18(13)27-10-11-3-4-11/h5-9,11,21H,3-4,10H2,1-2H3,(H,22,26).
What are the key properties of 7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one?
7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one has a molecular weight of 364.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 118093923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).