4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine

C30H34Cl2N6 — CID 10143926

IUPAC4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine
SMILESCCCn1c(C2CCN(C)CC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(N[C@H](C)c2ccccc2)n1
InChIInChI=1S/C30H34Cl2N6/c1-4-16-38-28(26-12-15-33-30(35-26)34-20(2)21-8-6-5-7-9-21)27(23-10-11-24(31)25(32)19-23)36-29(38)22-13-17-37(3)18-14-22/h5-12,15,19-20,22H,4,13-14,16-18H2,1-3H3,(H,33,34,35)/t20-/m1/s1
InChIKeyMRANOSSQKGTKLY-HXUWFJFHSA-N
MW549.55 g/mol
LogP7.71
Rot. Bonds8

About 4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine

4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine (PubChem CID 10143926) has the molecular formula C30H34Cl2N6 and a molecular weight of 549.55 g/mol. Its IUPAC name is 4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine
PubChem CID10143926
Molecular FormulaC30H34Cl2N6
Molecular Weight549.55 g/mol
Exact Mass548.22
IUPAC Name4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine
SMILESCCCn1c(C2CCN(C)CC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(N[C@H](C)c2ccccc2)n1
InChIInChI=1S/C30H34Cl2N6/c1-4-16-38-28(26-12-15-33-30(35-26)34-20(2)21-8-6-5-7-9-21)27(23-10-11-24(31)25(32)19-23)36-29(38)22-13-17-37(3)18-14-22/h5-12,15,19-20,22H,4,13-14,16-18H2,1-3H3,(H,33,34,35)/t20-/m1/s1
InChIKeyMRANOSSQKGTKLY-HXUWFJFHSA-N
XLogP7.71
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.55
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine 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

4-[5-(3,4-dichlorophenyl)-2-piperidin-4-yl-3-propylimidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 10302214
benzyl 4-[1-methyl-5-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 10770417
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22486148
1-[4-[3-(4-chlorophenyl)-4-[2-(1-phenylethylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 22973140
N-cyclopropyl-4-[3-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-2-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine
CID 10121398
4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 174518583
4-(4-fluorophenyl)-1-methyl-2-(1-methylpiperidin-4-yl)-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]pyrazol-3-one;(1S)-1-phenylethanamine
CID 91422675
4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 75027134
4-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 100915242
4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-2-amine
CID 70831717
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071
4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 58824370

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine (CID 10143926) is 4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine is CCCn1c(C2CCN(C)CC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(N[C@H](C)c2ccccc2)n1.
What is the InChIKey of 4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine?
The InChIKey is MRANOSSQKGTKLY-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H34Cl2N6/c1-4-16-38-28(26-12-15-33-30(35-26)34-20(2)21-8-6-5-7-9-21)27(23-10-11-24(31)25(32)19-23)36-29(38)22-13-17-37(3)18-14-22/h5-12,15,19-20,22H,4,13-14,16-18H2,1-3H3,(H,33,34,35)/t20-/m1/s1.
What are the key properties of 4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine?
4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine has a molecular weight of 549.55 g/mol, XLogP of 7.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine is sourced from PubChem (CID 10143926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).