2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole

C18H18ClN3 — CID 51137111

IUPAC2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
SMILESClc1cccc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C18H18ClN3/c19-15-5-3-4-13(10-15)11-22-9-8-14(12-22)18-20-16-6-1-2-7-17(16)21-18/h1-7,10,14H,8-9,11-12H2,(H,20,21)/t14-/m0/s1
InChIKeyOVRBODIQRFMCNG-AWEZNQCLSA-N
MW311.82 g/mol
LogP4.21
Rot. Bonds3

About 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole

2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole (PubChem CID 51137111) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
PubChem CID51137111
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
SMILESClc1cccc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C18H18ClN3/c19-15-5-3-4-13(10-15)11-22-9-8-14(12-22)18-20-16-6-1-2-7-17(16)21-18/h1-7,10,14H,8-9,11-12H2,(H,20,21)/t14-/m0/s1
InChIKeyOVRBODIQRFMCNG-AWEZNQCLSA-N
XLogP4.21
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802957
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 43981509
2-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802949
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-6-methyl-1H-benzimidazole
CID 51137097
6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 92563327

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole (CID 51137111) is 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole is Clc1cccc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole?
The InChIKey is OVRBODIQRFMCNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18ClN3/c19-15-5-3-4-13(10-15)11-22-9-8-14(12-22)18-20-16-6-1-2-7-17(16)21-18/h1-7,10,14H,8-9,11-12H2,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole?
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole has a molecular weight of 311.82 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 51137111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).