4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine

C13H15N5 — CID 62209553

IUPAC4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1Cn1cnc2ccccc21
InChIInChI=1S/C13H15N5/c1-9-10(13(14)17(2)16-9)7-18-8-15-11-5-3-4-6-12(11)18/h3-6,8H,7,14H2,1-2H3
InChIKeyCDLSQVKTFIYWLD-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.71
Rot. Bonds2

About 4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine

4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 62209553) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine
PubChem CID62209553
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1Cn1cnc2ccccc21
InChIInChI=1S/C13H15N5/c1-9-10(13(14)17(2)16-9)7-18-8-15-11-5-3-4-6-12(11)18/h3-6,8H,7,14H2,1-2H3
InChIKeyCDLSQVKTFIYWLD-UHFFFAOYSA-N
XLogP1.71
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline
CID 156644269
1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 830343
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 112684885
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazol-4-amine
CID 140801470
5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43554355
1-[(2-methyltriazol-4-yl)methyl]benzimidazole
CID 166839285
1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine
CID 62178948
1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 830340
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-ethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952055
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
bis(1-butylbenzimidazole);ethane
CID 142164287

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine (CID 62209553) is 4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1Cn1cnc2ccccc21.
What is the InChIKey of 4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is CDLSQVKTFIYWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-9-10(13(14)17(2)16-9)7-18-8-15-11-5-3-4-6-12(11)18/h3-6,8H,7,14H2,1-2H3.
What are the key properties of 4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine?
4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 241.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 62209553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).