cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone

C26H24Cl2N6O — CID 71584094

IUPACcyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@@H](Nc2nccc(-n3c(-c4ccc(Cl)c(Cl)c4)nc4ccccc43)n2)C1
InChIInChI=1S/C26H24Cl2N6O/c27-19-10-9-17(14-20(19)28)24-31-21-5-1-2-6-22(21)34(24)23-11-12-29-26(32-23)30-18-4-3-13-33(15-18)25(35)16-7-8-16/h1-2,5-6,9-12,14,16,18H,3-4,7-8,13,15H2,(H,29,30,32)/t18-/m1/s1
InChIKeyHHDRDYGKYXSQBA-GOSISDBHSA-N
MW507.43 g/mol
LogP5.60
Rot. Bonds5

About cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone

cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 71584094) has the molecular formula C26H24Cl2N6O and a molecular weight of 507.43 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
PubChem CID71584094
Molecular FormulaC26H24Cl2N6O
Molecular Weight507.43 g/mol
Exact Mass506.14
IUPAC Namecyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@@H](Nc2nccc(-n3c(-c4ccc(Cl)c(Cl)c4)nc4ccccc43)n2)C1
InChIInChI=1S/C26H24Cl2N6O/c27-19-10-9-17(14-20(19)28)24-31-21-5-1-2-6-22(21)34(24)23-11-12-29-26(32-23)30-18-4-3-13-33(15-18)25(35)16-7-8-16/h1-2,5-6,9-12,14,16,18H,3-4,7-8,13,15H2,(H,29,30,32)/t18-/m1/s1
InChIKeyHHDRDYGKYXSQBA-GOSISDBHSA-N
XLogP5.60
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.43
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl)-4-ethylaminopiperidine-4-carboxylic acid amide
CID 10052040
Diphenyl purine derivative 2
CID 72713199
Otenabant hydrochloride
CID 16223963
Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
Diphenyl purine derivative 5
CID 72713196
Diphenyl purine derivative 3
CID 72713197
Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447873
N-Desethyl otenabant
CID 10480380
N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 67387753
7,8-Dichloro-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 10071745
7,8-Dichloro-1-methyl-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 10478956
1-[4-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one
CID 135156282

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone (CID 71584094) is cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC[C@@H](Nc2nccc(-n3c(-c4ccc(Cl)c(Cl)c4)nc4ccccc43)n2)C1.
What is the InChIKey of cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is HHDRDYGKYXSQBA-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24Cl2N6O/c27-19-10-9-17(14-20(19)28)24-31-21-5-1-2-6-22(21)34(24)23-11-12-29-26(32-23)30-18-4-3-13-33(15-18)25(35)16-7-8-16/h1-2,5-6,9-12,14,16,18H,3-4,7-8,13,15H2,(H,29,30,32)/t18-/m1/s1.
What are the key properties of cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 507.43 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R)-3-[[4-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 71584094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).