4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine

C19H17N5 — CID 18375779

IUPAC4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
SMILESCc1ccc(CNc2nccc(-n3cnc4ccccc43)n2)cc1
InChIInChI=1S/C19H17N5/c1-14-6-8-15(9-7-14)12-21-19-20-11-10-18(23-19)24-13-22-16-4-2-3-5-17(16)24/h2-11,13H,12H2,1H3,(H,20,21,23)
InChIKeyAJHZPTIJMIDIRP-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.74
Rot. Bonds4

About 4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine

4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine (PubChem CID 18375779) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
PubChem CID18375779
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
SMILESCc1ccc(CNc2nccc(-n3cnc4ccccc43)n2)cc1
InChIInChI=1S/C19H17N5/c1-14-6-8-15(9-7-14)12-21-19-20-11-10-18(23-19)24-13-22-16-4-2-3-5-17(16)24/h2-11,13H,12H2,1H3,(H,20,21,23)
InChIKeyAJHZPTIJMIDIRP-UHFFFAOYSA-N
XLogP3.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine (CID 18375779) is 4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine is Cc1ccc(CNc2nccc(-n3cnc4ccccc43)n2)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is AJHZPTIJMIDIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-14-6-8-15(9-7-14)12-21-19-20-11-10-18(23-19)24-13-22-16-4-2-3-5-17(16)24/h2-11,13H,12H2,1H3,(H,20,21,23).
What are the key properties of 4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine?
4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 315.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 18375779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).