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

C32H33N7 — CID 155812502

IUPAC6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
SMILESc1cn2cc(-c3ccc4ncn(C5CCCCC5)c4c3)nc(-c3ccc4ncn(C5CCCCC5)c4c3)c2n1
InChIInChI=1S/C32H33N7/c1-3-7-24(8-4-1)38-20-34-26-13-11-22(17-29(26)38)28-19-37-16-15-33-32(37)31(36-28)23-12-14-27-30(18-23)39(21-35-27)25-9-5-2-6-10-25/h11-21,24-25H,1-10H2
InChIKeyXEFFCFLZLHGTDK-UHFFFAOYSA-N
MW515.67 g/mol
LogP7.77
Rot. Bonds4

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

6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine (PubChem CID 155812502) has the molecular formula C32H33N7 and a molecular weight of 515.67 g/mol. Its IUPAC name is 6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
PubChem CID155812502
Molecular FormulaC32H33N7
Molecular Weight515.67 g/mol
Exact Mass515.28
IUPAC Name6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
SMILESc1cn2cc(-c3ccc4ncn(C5CCCCC5)c4c3)nc(-c3ccc4ncn(C5CCCCC5)c4c3)c2n1
InChIInChI=1S/C32H33N7/c1-3-7-24(8-4-1)38-20-34-26-13-11-22(17-29(26)38)28-19-37-16-15-33-32(37)31(36-28)23-12-14-27-30(18-23)39(21-35-27)25-9-5-2-6-10-25/h11-21,24-25H,1-10H2
InChIKeyXEFFCFLZLHGTDK-UHFFFAOYSA-N
XLogP7.77
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.67
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
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Eapb-0203
CID 24779760
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CID 11710453
2-[2-[3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyridin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 71153166
2,3-Diphenylimidazo[1,2-a]pyridine
CID 722214
4-[4-(1H-1,3-benzimidazol-1-yl)phenyl]-2-pyrimidinylamine
CID 1477777
Pyrido[1,2-a]benzimidazole-7-carbonitrile
CID 1504955
Irtemazole
CID 71330
11-(2-methyl-1H-imidazol-1-yl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 743357

Frequently Asked Questions

What is the IUPAC name of 6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine (CID 155812502) is 6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine is c1cn2cc(-c3ccc4ncn(C5CCCCC5)c4c3)nc(-c3ccc4ncn(C5CCCCC5)c4c3)c2n1.
What is the InChIKey of 6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
The InChIKey is XEFFCFLZLHGTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7/c1-3-7-24(8-4-1)38-20-34-26-13-11-22(17-29(26)38)28-19-37-16-15-33-32(37)31(36-28)23-12-14-27-30(18-23)39(21-35-27)25-9-5-2-6-10-25/h11-21,24-25H,1-10H2.
What are the key properties of 6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine?
6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine has a molecular weight of 515.67 g/mol, XLogP of 7.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155812502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).