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

C15H19N5 — CID 130405228

IUPAC(1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine
SMILESCC(C)C[C@@H](N)c1nc2ccc(-c3cn[nH]c3)cc2[nH]1
InChIInChI=1S/C15H19N5/c1-9(2)5-12(16)15-19-13-4-3-10(6-14(13)20-15)11-7-17-18-8-11/h3-4,6-9,12H,5,16H2,1-2H3,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyAMPHLJJXINOXDI-GFCCVEGCSA-N
MW269.35 g/mol
LogP3.00
Rot. Bonds4

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

(1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine (PubChem CID 130405228) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is (1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name(1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine
PubChem CID130405228
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name(1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine
SMILESCC(C)C[C@@H](N)c1nc2ccc(-c3cn[nH]c3)cc2[nH]1
InChIInChI=1S/C15H19N5/c1-9(2)5-12(16)15-19-13-4-3-10(6-14(13)20-15)11-7-17-18-8-11/h3-4,6-9,12H,5,16H2,1-2H3,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyAMPHLJJXINOXDI-GFCCVEGCSA-N
XLogP3.00
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine with MolForge

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Related Compounds

3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine
CID 118864462
(1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
CID 118864392
(1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine
CID 118864343
4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
CID 168867710
(1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 93307762
(1S)-1-[6-(4-isocyanophenyl)-1H-benzimidazol-2-yl]butan-1-amine
CID 123507625
3-methyl-1-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)butan-1-amine
CID 43114498
6-phenyl-2-propan-2-yl-1H-benzimidazole
CID 58158979
4-[2-(1-amino-2-hydroxypropyl)-3H-benzimidazol-5-yl]benzonitrile
CID 78145014
1-(4,5-difluoro-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
CID 112556492

Frequently Asked Questions

What is the IUPAC name of (1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine?
The IUPAC name of (1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine (CID 130405228) is (1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine.
What is the SMILES notation for (1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine?
The canonical SMILES for (1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine is CC(C)C[C@@H](N)c1nc2ccc(-c3cn[nH]c3)cc2[nH]1.
What is the InChIKey of (1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine?
The InChIKey is AMPHLJJXINOXDI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5/c1-9(2)5-12(16)15-19-13-4-3-10(6-14(13)20-15)11-7-17-18-8-11/h3-4,6-9,12H,5,16H2,1-2H3,(H,17,18)(H,19,20)/t12-/m1/s1.
What are the key properties of (1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine?
(1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine is sourced from PubChem (CID 130405228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).