1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine

C14H17N5 — CID 106039427

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine
SMILESCc1c(Cn2c(C)nc3cc(N)ccc32)cnn1C
InChIInChI=1S/C14H17N5/c1-9-11(7-16-18(9)3)8-19-10(2)17-13-6-12(15)4-5-14(13)19/h4-7H,8,15H2,1-3H3
InChIKeyJUUHTFDQEZEJOD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.02
Rot. Bonds2

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine

1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine (PubChem CID 106039427) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine
PubChem CID106039427
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine
SMILESCc1c(Cn2c(C)nc3cc(N)ccc32)cnn1C
InChIInChI=1S/C14H17N5/c1-9-11(7-16-18(9)3)8-19-10(2)17-13-6-12(15)4-5-14(13)19/h4-7H,8,15H2,1-3H3
InChIKeyJUUHTFDQEZEJOD-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-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 64694790
2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
CID 62992193
3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 106035582
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106376371
5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106035619
2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
CID 62506548
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624
2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile
CID 106035643
2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine
CID 114112062
1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
CID 62533806
1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride
CID 51051984
2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499134

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine (CID 106039427) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine is Cc1c(Cn2c(C)nc3cc(N)ccc32)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine?
The InChIKey is JUUHTFDQEZEJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-11(7-16-18(9)3)8-19-10(2)17-13-6-12(15)4-5-14(13)19/h4-7H,8,15H2,1-3H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-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-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 106039427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).