6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole

C15H21ClN4 — CID 115472704

IUPAC6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole
SMILESCCn1c(C(C)N2CCNCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN4/c1-3-20-14-10-12(16)4-5-13(14)18-15(20)11(2)19-8-6-17-7-9-19/h4-5,10-11,17H,3,6-9H2,1-2H3
InChIKeyRLPCMJRTVLTBSQ-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.68
Rot. Bonds3

About 6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole

6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole (PubChem CID 115472704) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole
PubChem CID115472704
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole
SMILESCCn1c(C(C)N2CCNCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN4/c1-3-20-14-10-12(16)4-5-13(14)18-15(20)11(2)19-8-6-17-7-9-19/h4-5,10-11,17H,3,6-9H2,1-2H3
InChIKeyRLPCMJRTVLTBSQ-UHFFFAOYSA-N
XLogP2.68
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole
CID 116682163
6-chloro-1-ethyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983266
2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole
CID 116682105
1-methyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 54914315
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
4-chloro-N-[1-(6-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177181
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
9-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]benzimidazole
CID 13015895
2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole
CID 62316014
2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile
CID 82311223
1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511
6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
CID 46309104

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole?
The IUPAC name of 6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole (CID 115472704) is 6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole.
What is the SMILES notation for 6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole?
The canonical SMILES for 6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole is CCn1c(C(C)N2CCNCC2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole?
The InChIKey is RLPCMJRTVLTBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-3-20-14-10-12(16)4-5-13(14)18-15(20)11(2)19-8-6-17-7-9-19/h4-5,10-11,17H,3,6-9H2,1-2H3.
What are the key properties of 6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole?
6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole has a molecular weight of 292.81 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole is sourced from PubChem (CID 115472704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).