5-chloro-2-ethyl-1-propylbenzimidazole

C12H15ClN2 — CID 46310723

IUPAC5-chloro-2-ethyl-1-propylbenzimidazole
SMILESCCCn1c(CC)nc2cc(Cl)ccc21
InChIInChI=1S/C12H15ClN2/c1-3-7-15-11-6-5-9(13)8-10(11)14-12(15)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyNKGAKDCVYOOXTG-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.66
Rot. Bonds3

About 5-chloro-2-ethyl-1-propylbenzimidazole

5-chloro-2-ethyl-1-propylbenzimidazole (PubChem CID 46310723) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 5-chloro-2-ethyl-1-propylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-ethyl-1-propylbenzimidazole
PubChem CID46310723
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name5-chloro-2-ethyl-1-propylbenzimidazole
SMILESCCCn1c(CC)nc2cc(Cl)ccc21
InChIInChI=1S/C12H15ClN2/c1-3-7-15-11-6-5-9(13)8-10(11)14-12(15)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyNKGAKDCVYOOXTG-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79873183
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316362
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 61400386
5-chloro-2-(piperidin-4-ylmethyl)-1-propylbenzimidazole
CID 79615143
[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81162135
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509
[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine
CID 82332532
2-ethyl-5,6-dimethyl-1-propylbenzimidazole
CID 143667898

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-1-propylbenzimidazole?
The IUPAC name of 5-chloro-2-ethyl-1-propylbenzimidazole (CID 46310723) is 5-chloro-2-ethyl-1-propylbenzimidazole.
What is the SMILES notation for 5-chloro-2-ethyl-1-propylbenzimidazole?
The canonical SMILES for 5-chloro-2-ethyl-1-propylbenzimidazole is CCCn1c(CC)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-ethyl-1-propylbenzimidazole?
The InChIKey is NKGAKDCVYOOXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-3-7-15-11-6-5-9(13)8-10(11)14-12(15)4-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 5-chloro-2-ethyl-1-propylbenzimidazole?
5-chloro-2-ethyl-1-propylbenzimidazole has a molecular weight of 222.72 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-1-propylbenzimidazole is sourced from PubChem (CID 46310723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).