1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole

C19H20ClN3 — CID 18324773

IUPAC1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole
SMILESClc1nc2ccccc2n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20ClN3/c20-19-21-17-8-4-5-9-18(17)23(19)16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyATNXGRIFNCMFFH-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.53
Rot. Bonds3

About 1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole

1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole (PubChem CID 18324773) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole
PubChem CID18324773
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole
SMILESClc1nc2ccccc2n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20ClN3/c20-19-21-17-8-4-5-9-18(17)23(19)16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyATNXGRIFNCMFFH-UHFFFAOYSA-N
XLogP4.53
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036
1-(1-benzylpiperidin-4-yl)quinolin-2-one
CID 14969566
1-(1-benzylpiperidin-3-yl)-2-(chloromethyl)benzimidazole
CID 71646521
1-benzyl-2-chlorobenzimidazole
CID 3821987
5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine
CID 11260535
[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol
CID 71649897
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-[1-(1-benzylpiperidin-3-yl)benzimidazol-2-yl]ethanone
CID 71628854
2-[1-[1-[(3-bromophenyl)methyl]piperidin-4-yl]benzimidazol-2-yl]-N-ethylethanamine
CID 144722295
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 10179321
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole (CID 18324773) is 1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole is Clc1nc2ccccc2n1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole?
The InChIKey is ATNXGRIFNCMFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c20-19-21-17-8-4-5-9-18(17)23(19)16-10-12-22(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole?
1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole has a molecular weight of 325.84 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole is sourced from PubChem (CID 18324773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).