1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C20H21N5O2 — CID 500516

IUPAC1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ccccc3n2CCCO)c2cnccc2n1C1CC1
InChIInChI=1S/C20H21N5O2/c26-11-3-10-23-16-5-2-1-4-15(16)22-19(23)13-24-18-12-21-9-8-17(18)25(20(24)27)14-6-7-14/h1-2,4-5,8-9,12,14,26H,3,6-7,10-11,13H2
InChIKeyANQAHRBJLMNFAK-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.31
Rot. Bonds6

About 1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 500516) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID500516
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ccccc3n2CCCO)c2cnccc2n1C1CC1
InChIInChI=1S/C20H21N5O2/c26-11-3-10-23-16-5-2-1-4-15(16)22-19(23)13-24-18-12-21-9-8-17(18)25(20(24)27)14-6-7-14/h1-2,4-5,8-9,12,14,26H,3,6-7,10-11,13H2
InChIKeyANQAHRBJLMNFAK-UHFFFAOYSA-N
XLogP2.31
TPSA77.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 500516) is 1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc3ccccc3n2CCCO)c2cnccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is ANQAHRBJLMNFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-11-3-10-23-16-5-2-1-4-15(16)22-19(23)13-24-18-12-21-9-8-17(18)25(20(24)27)14-6-7-14/h1-2,4-5,8-9,12,14,26H,3,6-7,10-11,13H2.
What are the key properties of 1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 500516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).