1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine

C13H15N5 — CID 82946594

IUPAC1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
SMILESCc1cc(C)c2nc(Cn3cc(N)cn3)[nH]c2c1
InChIInChI=1S/C13H15N5/c1-8-3-9(2)13-11(4-8)16-12(17-13)7-18-6-10(14)5-15-18/h3-6H,7,14H2,1-2H3,(H,16,17)
InChIKeyRKXNEJSPHDPKNE-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.01
Rot. Bonds2

About 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine

1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine (PubChem CID 82946594) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
PubChem CID82946594
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
SMILESCc1cc(C)c2nc(Cn3cc(N)cn3)[nH]c2c1
InChIInChI=1S/C13H15N5/c1-8-3-9(2)13-11(4-8)16-12(17-13)7-18-6-10(14)5-15-18/h3-6H,7,14H2,1-2H3,(H,16,17)
InChIKeyRKXNEJSPHDPKNE-UHFFFAOYSA-N
XLogP2.01
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine (CID 82946594) is 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine is Cc1cc(C)c2nc(Cn3cc(N)cn3)[nH]c2c1.
What is the InChIKey of 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine?
The InChIKey is RKXNEJSPHDPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-8-3-9(2)13-11(4-8)16-12(17-13)7-18-6-10(14)5-15-18/h3-6H,7,14H2,1-2H3,(H,16,17).
What are the key properties of 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine?
1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine has a molecular weight of 241.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 82946594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).