[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol

C18H19ClN4O2 — CID 123421115

IUPAC[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESOCC1CN(c2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)CC1CO
InChIInChI=1S/C18H19ClN4O2/c19-14-6-20-17(23-7-11(9-24)12(8-23)10-25)5-13(14)18-21-15-3-1-2-4-16(15)22-18/h1-6,11-12,24-25H,7-10H2,(H,21,22)
InChIKeyQRTAJYHBSCLKPK-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.32
Rot. Bonds4

About [1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol

[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol (PubChem CID 123421115) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is [1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
PubChem CID123421115
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESOCC1CN(c2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)CC1CO
InChIInChI=1S/C18H19ClN4O2/c19-14-6-20-17(23-7-11(9-24)12(8-23)10-25)5-13(14)18-21-15-3-1-2-4-16(15)22-18/h1-6,11-12,24-25H,7-10H2,(H,21,22)
InChIKeyQRTAJYHBSCLKPK-UHFFFAOYSA-N
XLogP2.32
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide
CID 123557081
4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazine-1-carboxamide
CID 123643221
4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide
CID 123606914
8-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 123944758
1-[4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 123671232
1-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperidin-4-yl]-1,3-dimethylurea
CID 123246253
8-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decane
CID 123644264
3-[4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazin-1-yl]thiolane 1-oxide
CID 123872023
7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 123520438
1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 123503570
1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 123829889
2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole
CID 141305852

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol (CID 123421115) is [1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol is OCC1CN(c2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)CC1CO.
What is the InChIKey of [1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The InChIKey is QRTAJYHBSCLKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-14-6-20-17(23-7-11(9-24)12(8-23)10-25)5-13(14)18-21-15-3-1-2-4-16(15)22-18/h1-6,11-12,24-25H,7-10H2,(H,21,22).
What are the key properties of [1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol has a molecular weight of 358.83 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 123421115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).