4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine

C18H18Cl2N6 — CID 69412147

IUPAC4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2[nH]c(N3CCCCC3)nc2-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H18Cl2N6/c19-12-5-4-11(10-13(12)20)15-16(14-6-7-22-17(21)23-14)25-18(24-15)26-8-2-1-3-9-26/h4-7,10H,1-3,8-9H2,(H,24,25)(H2,21,22,23)
InChIKeyPCBGINSIEFWTGH-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.41
Rot. Bonds3

About 4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine

4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine (PubChem CID 69412147) has the molecular formula C18H18Cl2N6 and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine
PubChem CID69412147
Molecular FormulaC18H18Cl2N6
Molecular Weight389.29 g/mol
Exact Mass388.10
IUPAC Name4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2[nH]c(N3CCCCC3)nc2-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H18Cl2N6/c19-12-5-4-11(10-13(12)20)15-16(14-6-7-22-17(21)23-14)25-18(24-15)26-8-2-1-3-9-26/h4-7,10H,1-3,8-9H2,(H,24,25)(H2,21,22,23)
InChIKeyPCBGINSIEFWTGH-UHFFFAOYSA-N
XLogP4.41
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(2-aminopyrimidin-4-yl)-2-[1-[(3,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]-1H-imidazol-4-yl]-2-chlorophenol
CID 22185451
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
5-[5-(2-aminopyrimidin-4-yl)-2-[1-[2-(4-chlorophenoxy)ethylamino]-2-methylpropan-2-yl]-1H-imidazol-4-yl]-2-chlorophenol;hydrochloride
CID 44535728
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 82291455
4-(2,4-dichlorophenyl)pyrimidin-2-amine
CID 4773592
4-(4-amino-2-chlorophenyl)pyrimidin-2-amine
CID 118540127
5-(2-amino-5-chloropyrimidin-4-yl)spiro[2H-isoindole-3,1'-cyclobutane]-1-one
CID 171660626
1-[4-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 87695327
6-(3,4-dichlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride
CID 159260871
6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 176678688
7-(3,4-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135631015

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine (CID 69412147) is 4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine is Nc1nccc(-c2[nH]c(N3CCCCC3)nc2-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine?
The InChIKey is PCBGINSIEFWTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6/c19-12-5-4-11(10-13(12)20)15-16(14-6-7-22-17(21)23-14)25-18(24-15)26-8-2-1-3-9-26/h4-7,10H,1-3,8-9H2,(H,24,25)(H2,21,22,23).
What are the key properties of 4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine?
4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine has a molecular weight of 389.29 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenyl)-2-piperidin-1-yl-1H-imidazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 69412147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).