[(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol

C19H20ClN3O — CID 141198459

IUPAC[(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C19H20ClN3O/c20-15-7-8-17-18(10-15)22-19(21-17)14-5-3-13(4-6-14)11-23-9-1-2-16(23)12-24/h3-8,10,16,24H,1-2,9,11-12H2,(H,21,22)/t16-/m1/s1
InChIKeyXXXWHTHDWITMLM-MRXNPFEDSA-N
MW341.84 g/mol
LogP3.84
Rot. Bonds4

About [(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 141198459) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is [(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID141198459
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name[(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C19H20ClN3O/c20-15-7-8-17-18(10-15)22-19(21-17)14-5-3-13(4-6-14)11-23-9-1-2-16(23)12-24/h3-8,10,16,24H,1-2,9,11-12H2,(H,21,22)/t16-/m1/s1
InChIKeyXXXWHTHDWITMLM-MRXNPFEDSA-N
XLogP3.84
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

6-chloro-2-[(2S)-1-[(4-nitrophenyl)methyl]pyrrolidin-2-yl]-1H-benzimidazole
CID 124886715
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 110921376
4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 117058420
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
CID 44526297
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
[1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 82247848
(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
CID 100580536
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide
CID 11705277
[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407185
1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-ol
CID 71078479

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol (CID 141198459) is [(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of [(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is XXXWHTHDWITMLM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-15-7-8-17-18(10-15)22-19(21-17)14-5-3-13(4-6-14)11-23-9-1-2-16(23)12-24/h3-8,10,16,24H,1-2,9,11-12H2,(H,21,22)/t16-/m1/s1.
What are the key properties of [(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 341.84 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 141198459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).