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

C29H28F2N8 — CID 122584004

IUPAC4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
SMILESCN(C)C1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc4c(c3)nc(C(F)F)n4C)c3nccn23)CC1
InChIInChI=1S/C29H28F2N8/c1-36(2)21-10-13-38(14-11-21)29-35-25(19-6-4-18(17-32)5-7-19)24(27-33-12-15-39(27)29)20-8-9-23-22(16-20)34-28(26(30)31)37(23)3/h4-9,12,15-16,21,26H,10-11,13-14H2,1-3H3
InChIKeySPXUUYOZNWDYHV-UHFFFAOYSA-N
MW526.60 g/mol
LogP5.29
Rot. Bonds5

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

4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile (PubChem CID 122584004) has the molecular formula C29H28F2N8 and a molecular weight of 526.60 g/mol. Its IUPAC name is 4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
PubChem CID122584004
Molecular FormulaC29H28F2N8
Molecular Weight526.60 g/mol
Exact Mass526.24
IUPAC Name4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
SMILESCN(C)C1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc4c(c3)nc(C(F)F)n4C)c3nccn23)CC1
InChIInChI=1S/C29H28F2N8/c1-36(2)21-10-13-38(14-11-21)29-35-25(19-6-4-18(17-32)5-7-19)24(27-33-12-15-39(27)29)20-8-9-23-22(16-20)34-28(26(30)31)37(23)3/h4-9,12,15-16,21,26H,10-11,13-14H2,1-3H3
InChIKeySPXUUYOZNWDYHV-UHFFFAOYSA-N
XLogP5.29
TPSA78.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The IUPAC name of 4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile (CID 122584004) is 4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile.
What is the SMILES notation for 4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The canonical SMILES for 4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile is CN(C)C1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3ccc4c(c3)nc(C(F)F)n4C)c3nccn23)CC1.
What is the InChIKey of 4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The InChIKey is SPXUUYOZNWDYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N8/c1-36(2)21-10-13-38(14-11-21)29-35-25(19-6-4-18(17-32)5-7-19)24(27-33-12-15-39(27)29)20-8-9-23-22(16-20)34-28(26(30)31)37(23)3/h4-9,12,15-16,21,26H,10-11,13-14H2,1-3H3.
What are the key properties of 4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile has a molecular weight of 526.60 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 122584004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).