4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C16H16ClN3S — CID 115472705

IUPAC4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCCn1c(C2NCCc3sccc32)nc2ccc(Cl)cc21
InChIInChI=1S/C16H16ClN3S/c1-2-20-13-9-10(17)3-4-12(13)19-16(20)15-11-6-8-21-14(11)5-7-18-15/h3-4,6,8-9,15,18H,2,5,7H2,1H3
InChIKeyZUTPYSQENLVJCO-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.01
Rot. Bonds2

About 4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 115472705) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID115472705
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCCn1c(C2NCCc3sccc32)nc2ccc(Cl)cc21
InChIInChI=1S/C16H16ClN3S/c1-2-20-13-9-10(17)3-4-12(13)19-16(20)15-11-6-8-21-14(11)5-7-18-15/h3-4,6,8-9,15,18H,2,5,7H2,1H3
InChIKeyZUTPYSQENLVJCO-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine
CID 113316577
6-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 115472628
1-benzyl-6-chloro-2-pyrrolidin-2-ylbenzimidazole
CID 46311065
5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole
CID 106742782
6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole
CID 113316608
6-chloro-2-(chloromethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazole
CID 115471476
4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 62721784
2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole
CID 116682163
N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine
CID 46309665
6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole
CID 46308708
6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 115472704

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 115472705) is 4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is CCn1c(C2NCCc3sccc32)nc2ccc(Cl)cc21.
What is the InChIKey of 4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is ZUTPYSQENLVJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-2-20-13-9-10(17)3-4-12(13)19-16(20)15-11-6-8-21-14(11)5-7-18-15/h3-4,6,8-9,15,18H,2,5,7H2,1H3.
What are the key properties of 4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 317.85 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 115472705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).