4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]

C14H15N5 — CID 10753378

IUPAC4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]
SMILESc1cn(-c2nccc3c2=NC2(CCCCC2)N=3)cn1
InChIInChI=1S/C14H15N5/c1-2-5-14(6-3-1)17-11-4-7-16-13(12(11)18-14)19-9-8-15-10-19/h4,7-10H,1-3,5-6H2
InChIKeyBMZRLUMLIAHQLT-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.18
Rot. Bonds1

About 4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]

4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine] (PubChem CID 10753378) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine].

Molecular Properties

Compound Name4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]
PubChem CID10753378
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]
SMILESc1cn(-c2nccc3c2=NC2(CCCCC2)N=3)cn1
InChIInChI=1S/C14H15N5/c1-2-5-14(6-3-1)17-11-4-7-16-13(12(11)18-14)19-9-8-15-10-19/h4,7-10H,1-3,5-6H2
InChIKeyBMZRLUMLIAHQLT-UHFFFAOYSA-N
XLogP1.18
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]?
The IUPAC name of 4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine] (CID 10753378) is 4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine].
What is the SMILES notation for 4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]?
The canonical SMILES for 4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine] is c1cn(-c2nccc3c2=NC2(CCCCC2)N=3)cn1.
What is the InChIKey of 4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]?
The InChIKey is BMZRLUMLIAHQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-5-14(6-3-1)17-11-4-7-16-13(12(11)18-14)19-9-8-15-10-19/h4,7-10H,1-3,5-6H2.
What are the key properties of 4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]?
4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine] has a molecular weight of 253.31 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine] is sourced from PubChem (CID 10753378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).