1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine

C14H17N5 — CID 140801470

IUPAC1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine
SMILESCc1nn(C)c(C)c1Cn1cnc2c(N)cccc21
InChIInChI=1S/C14H17N5/c1-9-11(10(2)18(3)17-9)7-19-8-16-14-12(15)5-4-6-13(14)19/h4-6,8H,7,15H2,1-3H3
InChIKeyJTCRBHUYGHLILN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.02
Rot. Bonds2

About 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine

1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine (PubChem CID 140801470) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine.

Molecular Properties

Compound Name1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine
PubChem CID140801470
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine
SMILESCc1nn(C)c(C)c1Cn1cnc2c(N)cccc21
InChIInChI=1S/C14H17N5/c1-9-11(10(2)18(3)17-9)7-19-8-16-14-12(15)5-4-6-13(14)19/h4-6,8H,7,15H2,1-3H3
InChIKeyJTCRBHUYGHLILN-UHFFFAOYSA-N
XLogP2.02
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(pyridin-4-ylmethyl)benzimidazol-4-amine
CID 59428629
4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine
CID 62209553
3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115933573
1-(2-trimethylsilylethoxymethyl)benzimidazol-4-amine
CID 156708080
2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
CID 79238244
(1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
CID 104943360
1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
CID 114706579
3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 115930594
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543861
8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine
CID 79223061
1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole
CID 115641222
3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one
CID 103125761

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine?
The IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine (CID 140801470) is 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine.
What is the SMILES notation for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine?
The canonical SMILES for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine is Cc1nn(C)c(C)c1Cn1cnc2c(N)cccc21.
What is the InChIKey of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine?
The InChIKey is JTCRBHUYGHLILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-11(10(2)18(3)17-9)7-19-8-16-14-12(15)5-4-6-13(14)19/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine?
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine is sourced from PubChem (CID 140801470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).