(1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine

C17H23N5 — CID 118864183

IUPAC(1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine
SMILESCCn1c([C@H](N)CC(C)C)nc2ccc(-c3cn[nH]c3)cc21
InChIInChI=1S/C17H23N5/c1-4-22-16-8-12(13-9-19-20-10-13)5-6-15(16)21-17(22)14(18)7-11(2)3/h5-6,8-11,14H,4,7,18H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyWEYTXGUNNTVLLO-CQSZACIVSA-N
MW297.41 g/mol
LogP3.49
Rot. Bonds5

About (1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine

(1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 118864183) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is (1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine
PubChem CID118864183
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name(1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine
SMILESCCn1c([C@H](N)CC(C)C)nc2ccc(-c3cn[nH]c3)cc21
InChIInChI=1S/C17H23N5/c1-4-22-16-8-12(13-9-19-20-10-13)5-6-15(16)21-17(22)14(18)7-11(2)3/h5-6,8-11,14H,4,7,18H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyWEYTXGUNNTVLLO-CQSZACIVSA-N
XLogP3.49
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

At-9283
CID 135398495
Ag-24322
CID 135413565
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
CID 44517648
2-(1H-Pyrazol-5-yl)-1H-1,3-benzodiazole
CID 763936
Meribendan
CID 65934
CID 138105936
CID 138105936
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11314018
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyrimidin-5-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11393909
9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphosphoryl)phenyl)-9H-purin-6-amine
CID 44561737
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
4-{3-[7-(4-Methylpiperazin-1-Yl)-1h-Benzimidazol-2-Yl]-1h-Indazol-6-Yl}aniline
CID 135566451
1-cyclohexyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}urea
CID 135909513

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine (CID 118864183) is (1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine is CCn1c([C@H](N)CC(C)C)nc2ccc(-c3cn[nH]c3)cc21.
What is the InChIKey of (1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is WEYTXGUNNTVLLO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5/c1-4-22-16-8-12(13-9-19-20-10-13)5-6-15(16)21-17(22)14(18)7-11(2)3/h5-6,8-11,14H,4,7,18H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine?
(1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 297.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-ethyl-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 118864183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).