1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine

C15H19N5 — CID 103029759

IUPAC1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCn1cc(CCC(N)Cn2cnc3ccccc32)cn1
InChIInChI=1S/C15H19N5/c1-19-9-12(8-18-19)6-7-13(16)10-20-11-17-14-4-2-3-5-15(14)20/h2-5,8-9,11,13H,6-7,10,16H2,1H3
InChIKeyPFDDRVBCTGDCDS-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.73
Rot. Bonds5

About 1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine

1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine (PubChem CID 103029759) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
PubChem CID103029759
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCn1cc(CCC(N)Cn2cnc3ccccc32)cn1
InChIInChI=1S/C15H19N5/c1-19-9-12(8-18-19)6-7-13(16)10-20-11-17-14-4-2-3-5-15(14)20/h2-5,8-9,11,13H,6-7,10,16H2,1H3
InChIKeyPFDDRVBCTGDCDS-UHFFFAOYSA-N
XLogP1.73
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 105125140
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CID 105176644
3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine
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CID 107011933
1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 105168831
1-(benzimidazol-1-yl)pent-4-en-2-amine
CID 105107781
[1-(benzimidazol-1-yl)-4-phenylbutan-2-yl]hydrazine
CID 105285825
1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 105107290
5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103029608
1-(benzimidazol-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-amine
CID 105158489

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine (CID 103029759) is 1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine is Cn1cc(CCC(N)Cn2cnc3ccccc32)cn1.
What is the InChIKey of 1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine?
The InChIKey is PFDDRVBCTGDCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-19-9-12(8-18-19)6-7-13(16)10-20-11-17-14-4-2-3-5-15(14)20/h2-5,8-9,11,13H,6-7,10,16H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine?
1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine has a molecular weight of 269.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 103029759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).