6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole

C15H20ClN3 — CID 115472334

IUPAC6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
SMILESCn1c(CCC2CCCCN2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H20ClN3/c1-19-14-10-11(16)5-7-13(14)18-15(19)8-6-12-4-2-3-9-17-12/h5,7,10,12,17H,2-4,6,8-9H2,1H3
InChIKeyMFPRVTSPRXEWGP-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.30
Rot. Bonds3

About 6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole

6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole (PubChem CID 115472334) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
PubChem CID115472334
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
SMILESCn1c(CCC2CCCCN2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H20ClN3/c1-19-14-10-11(16)5-7-13(14)18-15(19)8-6-12-4-2-3-9-17-12/h5,7,10,12,17H,2-4,6,8-9H2,1H3
InChIKeyMFPRVTSPRXEWGP-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62217192
5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62217546
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 84641963
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84633641
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62218072
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509
2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
CID 83849999
2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole
CID 82149978

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole?
The IUPAC name of 6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole (CID 115472334) is 6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole.
What is the SMILES notation for 6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole?
The canonical SMILES for 6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole is Cn1c(CCC2CCCCN2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole?
The InChIKey is MFPRVTSPRXEWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-19-14-10-11(16)5-7-13(14)18-15(19)8-6-12-4-2-3-9-17-12/h5,7,10,12,17H,2-4,6,8-9H2,1H3.
What are the key properties of 6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole?
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole has a molecular weight of 277.80 g/mol, XLogP of 3.30, 3 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-(2-piperidin-2-ylethyl)benzimidazole is sourced from PubChem (CID 115472334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).