5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide

C24H29Cl2N5O — CID 71528444

IUPAC5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide
SMILESCC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29Cl2N5O/c1-15(2)27-24-28-22-19(14-18(25)21(26)20(22)23(32)29(3)4)31(24)17-10-12-30(13-11-17)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,27,28)
InChIKeyNNPJKGJLZBWICB-UHFFFAOYSA-N
MW474.44 g/mol
LogP5.71
Rot. Bonds5

About 5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide

5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide (PubChem CID 71528444) has the molecular formula C24H29Cl2N5O and a molecular weight of 474.44 g/mol. Its IUPAC name is 5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide
PubChem CID71528444
Molecular FormulaC24H29Cl2N5O
Molecular Weight474.44 g/mol
Exact Mass473.17
IUPAC Name5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide
SMILESCC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29Cl2N5O/c1-15(2)27-24-28-22-19(14-18(25)21(26)20(22)23(32)29(3)4)31(24)17-10-12-30(13-11-17)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,27,28)
InChIKeyNNPJKGJLZBWICB-UHFFFAOYSA-N
XLogP5.71
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.44
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide 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 5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide?
The IUPAC name of 5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide (CID 71528444) is 5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide.
What is the SMILES notation for 5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide?
The canonical SMILES for 5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide is CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(c2ccccc2)CC1.
What is the InChIKey of 5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide?
The InChIKey is NNPJKGJLZBWICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N5O/c1-15(2)27-24-28-22-19(14-18(25)21(26)20(22)23(32)29(3)4)31(24)17-10-12-30(13-11-17)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,27,28).
What are the key properties of 5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide?
5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N,N-dimethyl-1-(1-phenylpiperidin-4-yl)-2-(propan-2-ylamino)benzimidazole-4-carboxamide is sourced from PubChem (CID 71528444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).