N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

C19H14ClN5 — CID 5329422

IUPACN-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESClc1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C19H14ClN5/c20-15-7-4-8-16(13-15)23-19-22-10-9-17(24-19)25-12-11-21-18(25)14-5-2-1-3-6-14/h1-13H,(H,22,23,24)
InChIKeyIZXZEYNCDVNMCQ-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.73
Rot. Bonds4

About N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (PubChem CID 5329422) has the molecular formula C19H14ClN5 and a molecular weight of 347.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
PubChem CID5329422
Molecular FormulaC19H14ClN5
Molecular Weight347.81 g/mol
Exact Mass347.09
IUPAC NameN-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESClc1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C19H14ClN5/c20-15-7-4-8-16(13-15)23-19-22-10-9-17(24-19)25-12-11-21-18(25)14-5-2-1-3-6-14/h1-13H,(H,22,23,24)
InChIKeyIZXZEYNCDVNMCQ-UHFFFAOYSA-N
XLogP4.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (CID 5329422) is N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is Clc1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is IZXZEYNCDVNMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5/c20-15-7-4-8-16(13-15)23-19-22-10-9-17(24-19)25-12-11-21-18(25)14-5-2-1-3-6-14/h1-13H,(H,22,23,24).
What are the key properties of N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 347.81 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5329422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).