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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Related Compounds

1-Cyclopropyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 6478034
Methyl 4-[3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate
CID 71521688
2-{1-methyl-4-[(1-methyl-1H-benzimidazol-2-yl)methyl]piperazin-2-yl}ethanol
CID 23723742
4-[2-[(2-Oxo-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzimidazol-1-yl]butanenitrile
CID 9951365
1-[[1-(4-Hydroxybutyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
CID 10090945
1-Ethyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 11187646
4-[2-[(1-Cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile
CID 18334710
4-[2-[(1-Cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile
CID 18334715
4-[2-[[1-(Cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile
CID 18334725
4-[2-[[2-Oxo-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile
CID 18334729
4-[2-[(1-Tert-butyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile
CID 18334731
4-[2-[(2-Oxo-1-prop-1-en-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile
CID 18334737

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).