4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine

C18H19N7 — CID 18342873

IUPAC4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCc1n[nH]c(C)c1C(C)Nc1nccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C18H19N7/c1-11(17-12(2)23-24-13(17)3)21-18-19-9-8-16(22-18)25-10-20-14-6-4-5-7-15(14)25/h4-11H,1-3H3,(H,23,24)(H,19,21,22)
InChIKeyJANORDCHGGKZBY-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.33
Rot. Bonds4

About 4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine

4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 18342873) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine
PubChem CID18342873
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCc1n[nH]c(C)c1C(C)Nc1nccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C18H19N7/c1-11(17-12(2)23-24-13(17)3)21-18-19-9-8-16(22-18)25-10-20-14-6-4-5-7-15(14)25/h4-11H,1-3H3,(H,23,24)(H,19,21,22)
InChIKeyJANORDCHGGKZBY-UHFFFAOYSA-N
XLogP3.33
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen
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4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
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4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
1-(2-methylpyrimidin-4-yl)benzimidazole
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4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924822
tert-butyl 5-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]imidazole-1-carboxylate
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3-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-pyrimidin-2-ylbenzimidazol-5-amine
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4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924945
4-[5-(2-methylphenyl)benzimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924910
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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine (CID 18342873) is 4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine is Cc1n[nH]c(C)c1C(C)Nc1nccc(-n2cnc3ccccc32)n1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is JANORDCHGGKZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-11(17-12(2)23-24-13(17)3)21-18-19-9-8-16(22-18)25-10-20-14-6-4-5-7-15(14)25/h4-11H,1-3H3,(H,23,24)(H,19,21,22).
What are the key properties of 4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine?
4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 333.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 18342873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).