1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]

C23H24N4 — CID 162285394

IUPAC1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]
SMILESCc1cc2c(cc1N1CC3(CCCCC3)c3cccnc31)nc1n2C=CC1
InChIInChI=1S/C23H24N4/c1-16-13-20-18(25-21-8-6-12-26(20)21)14-19(16)27-15-23(9-3-2-4-10-23)17-7-5-11-24-22(17)27/h5-7,11-14H,2-4,8-10,15H2,1H3
InChIKeySWCHTEQWQMPIML-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.12
Rot. Bonds1

About 1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]

1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane] (PubChem CID 162285394) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane].

Molecular Properties

Compound Name1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]
PubChem CID162285394
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]
SMILESCc1cc2c(cc1N1CC3(CCCCC3)c3cccnc31)nc1n2C=CC1
InChIInChI=1S/C23H24N4/c1-16-13-20-18(25-21-8-6-12-26(20)21)14-19(16)27-15-23(9-3-2-4-10-23)17-7-5-11-24-22(17)27/h5-7,11-14H,2-4,8-10,15H2,1H3
InChIKeySWCHTEQWQMPIML-UHFFFAOYSA-N
XLogP5.12
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]?
The IUPAC name of 1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane] (CID 162285394) is 1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane].
What is the SMILES notation for 1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]?
The canonical SMILES for 1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane] is Cc1cc2c(cc1N1CC3(CCCCC3)c3cccnc31)nc1n2C=CC1.
What is the InChIKey of 1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]?
The InChIKey is SWCHTEQWQMPIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-16-13-20-18(25-21-8-6-12-26(20)21)14-19(16)27-15-23(9-3-2-4-10-23)17-7-5-11-24-22(17)27/h5-7,11-14H,2-4,8-10,15H2,1H3.
What are the key properties of 1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]?
1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane] has a molecular weight of 356.47 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-3H-pyrrolo[1,2-a]benzimidazol-6-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane] is sourced from PubChem (CID 162285394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).