2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine

C12H14N6 — CID 155678863

IUPAC2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine
SMILESCN(C)c1cccc2[nH]c(-c3[nH]ncc3N)nc12
InChIInChI=1S/C12H14N6/c1-18(2)9-5-3-4-8-11(9)16-12(15-8)10-7(13)6-14-17-10/h3-6H,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyIRHMPWSTUWZMRP-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.60
Rot. Bonds2

About 2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine

2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine (PubChem CID 155678863) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine
PubChem CID155678863
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine
SMILESCN(C)c1cccc2[nH]c(-c3[nH]ncc3N)nc12
InChIInChI=1S/C12H14N6/c1-18(2)9-5-3-4-8-11(9)16-12(15-8)10-7(13)6-14-17-10/h3-6H,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyIRHMPWSTUWZMRP-UHFFFAOYSA-N
XLogP1.60
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-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 2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine?
The IUPAC name of 2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine (CID 155678863) is 2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine is CN(C)c1cccc2[nH]c(-c3[nH]ncc3N)nc12.
What is the InChIKey of 2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine?
The InChIKey is IRHMPWSTUWZMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-18(2)9-5-3-4-8-11(9)16-12(15-8)10-7(13)6-14-17-10/h3-6H,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine?
2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine has a molecular weight of 242.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1H-pyrazol-5-yl)-N,N-dimethyl-1H-benzimidazol-4-amine is sourced from PubChem (CID 155678863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).