1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine

C14H17N5 — CID 112671160

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine
SMILESCc1ccc2nc(N)n(Cc3cn(C)nc3C)c2c1
InChIInChI=1S/C14H17N5/c1-9-4-5-12-13(6-9)19(14(15)16-12)8-11-7-18(3)17-10(11)2/h4-7H,8H2,1-3H3,(H2,15,16)
InChIKeyQGRFGBDZDVERBV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.02
Rot. Bonds2

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine

1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine (PubChem CID 112671160) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine
PubChem CID112671160
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine
SMILESCc1ccc2nc(N)n(Cc3cn(C)nc3C)c2c1
InChIInChI=1S/C14H17N5/c1-9-4-5-12-13(6-9)19(14(15)16-12)8-11-7-18(3)17-10(11)2/h4-7H,8H2,1-3H3,(H2,15,16)
InChIKeyQGRFGBDZDVERBV-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

Analyze 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine (CID 112671160) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine is Cc1ccc2nc(N)n(Cc3cn(C)nc3C)c2c1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine?
The InChIKey is QGRFGBDZDVERBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-4-5-12-13(6-9)19(14(15)16-12)8-11-7-18(3)17-10(11)2/h4-7H,8H2,1-3H3,(H2,15,16).
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-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-dimethylpyrazol-4-yl)methyl]-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 112671160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).