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

C19H20ClN3 — CID 16802957

IUPAC2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
SMILESClc1cccc(CN2CCCC(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C19H20ClN3/c20-16-7-3-5-14(11-16)12-23-10-4-6-15(13-23)19-21-17-8-1-2-9-18(17)22-19/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,21,22)
InChIKeyGQTVCOOFWUQFIO-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.60
Rot. Bonds3

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

2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole (PubChem CID 16802957) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
PubChem CID16802957
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
SMILESClc1cccc(CN2CCCC(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C19H20ClN3/c20-16-7-3-5-14(11-16)12-23-10-4-6-15(13-23)19-21-17-8-1-2-9-18(17)22-19/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,21,22)
InChIKeyGQTVCOOFWUQFIO-UHFFFAOYSA-N
XLogP4.60
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
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
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70723239
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
CID 91946903
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole
CID 56852354
2-[[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione
CID 55497895
2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 131927341
2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 70752239

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole (CID 16802957) is 2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole is Clc1cccc(CN2CCCC(c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole?
The InChIKey is GQTVCOOFWUQFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c20-16-7-3-5-14(11-16)12-23-10-4-6-15(13-23)19-21-17-8-1-2-9-18(17)22-19/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,21,22).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole?
2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole has a molecular weight of 325.84 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 16802957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).