8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine

C23H21N5S — CID 155810398

IUPAC8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine
SMILESc1cn2cc(-c3ccsc3)nc(-c3ccc4ncn(C5CCCCC5)c4c3)c2n1
InChIInChI=1S/C23H21N5S/c1-2-4-18(5-3-1)28-15-25-19-7-6-16(12-21(19)28)22-23-24-9-10-27(23)13-20(26-22)17-8-11-29-14-17/h6-15,18H,1-5H2
InChIKeyRQCQWKXOJZMODH-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.98
Rot. Bonds3

About 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine

8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine (PubChem CID 155810398) has the molecular formula C23H21N5S and a molecular weight of 399.52 g/mol. Its IUPAC name is 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine
PubChem CID155810398
Molecular FormulaC23H21N5S
Molecular Weight399.52 g/mol
Exact Mass399.15
IUPAC Name8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine
SMILESc1cn2cc(-c3ccsc3)nc(-c3ccc4ncn(C5CCCCC5)c4c3)c2n1
InChIInChI=1S/C23H21N5S/c1-2-4-18(5-3-1)28-15-25-19-7-6-16(12-21(19)28)22-23-24-9-10-27(23)13-20(26-22)17-8-11-29-14-17/h6-15,18H,1-5H2
InChIKeyRQCQWKXOJZMODH-UHFFFAOYSA-N
XLogP5.98
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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E6Clv6G2RR
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N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]ethenyl]-N-methylaniline
CID 2326992
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060

Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine (CID 155810398) is 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine is c1cn2cc(-c3ccsc3)nc(-c3ccc4ncn(C5CCCCC5)c4c3)c2n1.
What is the InChIKey of 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine?
The InChIKey is RQCQWKXOJZMODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5S/c1-2-4-18(5-3-1)28-15-25-19-7-6-16(12-21(19)28)22-23-24-9-10-27(23)13-20(26-22)17-8-11-29-14-17/h6-15,18H,1-5H2.
What are the key properties of 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine?
8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine has a molecular weight of 399.52 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclohexylbenzimidazol-5-yl)-6-thiophen-3-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 155810398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).