6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole

C14H18ClN3 — CID 113316558

IUPAC6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole
SMILESCn1c(C2(C)CCCNC2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3/c1-14(6-3-7-16-9-14)13-17-11-5-4-10(15)8-12(11)18(13)2/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyUXNVZAYIXDAHOU-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.87
Rot. Bonds1

About 6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole

6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole (PubChem CID 113316558) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole
PubChem CID113316558
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole
SMILESCn1c(C2(C)CCCNC2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3/c1-14(6-3-7-16-9-14)13-17-11-5-4-10(15)8-12(11)18(13)2/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyUXNVZAYIXDAHOU-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole?
The IUPAC name of 6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole (CID 113316558) is 6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole.
What is the SMILES notation for 6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole?
The canonical SMILES for 6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole is Cn1c(C2(C)CCCNC2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole?
The InChIKey is UXNVZAYIXDAHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-14(6-3-7-16-9-14)13-17-11-5-4-10(15)8-12(11)18(13)2/h4-5,8,16H,3,6-7,9H2,1-2H3.
What are the key properties of 6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole?
6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole has a molecular weight of 263.77 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-(3-methylpiperidin-3-yl)benzimidazole is sourced from PubChem (CID 113316558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).