5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol

C20H24N4O2 — CID 56707283

IUPAC5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CN2CCCC2c2nc3c(C)cccc3[nH]2)c1O
InChIInChI=1S/C20H24N4O2/c1-12-5-3-6-16-18(12)23-20(22-16)17-7-4-8-24(17)10-15-14(11-25)9-21-13(2)19(15)26/h3,5-6,9,17,25-26H,4,7-8,10-11H2,1-2H3,(H,22,23)
InChIKeyJWRCLHZBBCNSHI-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.11
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol (PubChem CID 56707283) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol
PubChem CID56707283
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CN2CCCC2c2nc3c(C)cccc3[nH]2)c1O
InChIInChI=1S/C20H24N4O2/c1-12-5-3-6-16-18(12)23-20(22-16)17-7-4-8-24(17)10-15-14(11-25)9-21-13(2)19(15)26/h3,5-6,9,17,25-26H,4,7-8,10-11H2,1-2H3,(H,22,23)
InChIKeyJWRCLHZBBCNSHI-UHFFFAOYSA-N
XLogP3.11
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol (CID 56707283) is 5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol is Cc1ncc(CO)c(CN2CCCC2c2nc3c(C)cccc3[nH]2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol?
The InChIKey is JWRCLHZBBCNSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12-5-3-6-16-18(12)23-20(22-16)17-7-4-8-24(17)10-15-14(11-25)9-21-13(2)19(15)26/h3,5-6,9,17,25-26H,4,7-8,10-11H2,1-2H3,(H,22,23).
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol has a molecular weight of 352.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 56707283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).