2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole

C19H19Cl2N3 — CID 43981509

IUPAC2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
SMILESClc1ccc(CN2CCCC(c3nc4ccccc4[nH]3)C2)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3/c20-15-8-7-13(16(21)10-15)11-24-9-3-4-14(12-24)19-22-17-5-1-2-6-18(17)23-19/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,22,23)
InChIKeyXKFIERQZIQLIPN-UHFFFAOYSA-N
MW360.29 g/mol
LogP5.25
Rot. Bonds3

About 2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole

2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole (PubChem CID 43981509) has the molecular formula C19H19Cl2N3 and a molecular weight of 360.29 g/mol. Its IUPAC name is 2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
PubChem CID43981509
Molecular FormulaC19H19Cl2N3
Molecular Weight360.29 g/mol
Exact Mass359.10
IUPAC Name2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
SMILESClc1ccc(CN2CCCC(c3nc4ccccc4[nH]3)C2)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3/c20-15-8-7-13(16(21)10-15)11-24-9-3-4-14(12-24)19-22-17-5-1-2-6-18(17)23-19/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,22,23)
InChIKeyXKFIERQZIQLIPN-UHFFFAOYSA-N
XLogP5.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.29
LogP ≤ 55.25
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
7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine
CID 118878750
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 134061764
2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 131927341
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70723239
2-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802949
2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 77091645
4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline
CID 24606917
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one
CID 55790773

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole (CID 43981509) is 2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole is Clc1ccc(CN2CCCC(c3nc4ccccc4[nH]3)C2)c(Cl)c1.
What is the InChIKey of 2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole?
The InChIKey is XKFIERQZIQLIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3/c20-15-8-7-13(16(21)10-15)11-24-9-3-4-14(12-24)19-22-17-5-1-2-6-18(17)23-19/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,22,23).
What are the key properties of 2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole?
2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole has a molecular weight of 360.29 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 43981509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).