4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile

C29H30N8 — CID 122584000

IUPAC4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
SMILESCc1nc2cc(-c3c(-c4ccc(C#N)cc4)nc(N4CCC(N(C)C)CC4)n4ccnc34)ccc2n1C
InChIInChI=1S/C29H30N8/c1-19-32-24-17-22(9-10-25(24)35(19)4)26-27(21-7-5-20(18-30)6-8-21)33-29(37-16-13-31-28(26)37)36-14-11-23(12-15-36)34(2)3/h5-10,13,16-17,23H,11-12,14-15H2,1-4H3
InChIKeyAUFBUJHEQBDYQF-UHFFFAOYSA-N
MW490.62 g/mol
LogP4.66
Rot. Bonds4

About 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile

4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile (PubChem CID 122584000) has the molecular formula C29H30N8 and a molecular weight of 490.62 g/mol. Its IUPAC name is 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
PubChem CID122584000
Molecular FormulaC29H30N8
Molecular Weight490.62 g/mol
Exact Mass490.26
IUPAC Name4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
SMILESCc1nc2cc(-c3c(-c4ccc(C#N)cc4)nc(N4CCC(N(C)C)CC4)n4ccnc34)ccc2n1C
InChIInChI=1S/C29H30N8/c1-19-32-24-17-22(9-10-25(24)35(19)4)26-27(21-7-5-20(18-30)6-8-21)33-29(37-16-13-31-28(26)37)36-14-11-23(12-15-36)34(2)3/h5-10,13,16-17,23H,11-12,14-15H2,1-4H3
InChIKeyAUFBUJHEQBDYQF-UHFFFAOYSA-N
XLogP4.66
TPSA78.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.62
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The IUPAC name of 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile (CID 122584000) is 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile.
What is the SMILES notation for 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The canonical SMILES for 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile is Cc1nc2cc(-c3c(-c4ccc(C#N)cc4)nc(N4CCC(N(C)C)CC4)n4ccnc34)ccc2n1C.
What is the InChIKey of 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The InChIKey is AUFBUJHEQBDYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8/c1-19-32-24-17-22(9-10-25(24)35(19)4)26-27(21-7-5-20(18-30)6-8-21)33-29(37-16-13-31-28(26)37)36-14-11-23(12-15-36)34(2)3/h5-10,13,16-17,23H,11-12,14-15H2,1-4H3.
What are the key properties of 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile has a molecular weight of 490.62 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(dimethylamino)piperidin-1-yl]-8-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 122584000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).