N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine

C13H15N5 — CID 166193691

IUPACN-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine
SMILESCc1cnn(C)c1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C13H15N5/c1-9-7-15-18(2)12(9)8-14-13-16-10-5-3-4-6-11(10)17-13/h3-7H,8H2,1-2H3,(H2,14,16,17)
InChIKeyYLYQHQONRUKQNO-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.22
Rot. Bonds3

About N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine

N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine (PubChem CID 166193691) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine
PubChem CID166193691
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine
SMILESCc1cnn(C)c1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C13H15N5/c1-9-7-15-18(2)12(9)8-14-13-16-10-5-3-4-6-11(10)17-13/h3-7H,8H2,1-2H3,(H2,14,16,17)
InChIKeyYLYQHQONRUKQNO-UHFFFAOYSA-N
XLogP2.22
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine (CID 166193691) is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine is Cc1cnn(C)c1CNc1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is YLYQHQONRUKQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-9-7-15-18(2)12(9)8-14-13-16-10-5-3-4-6-11(10)17-13/h3-7H,8H2,1-2H3,(H2,14,16,17).
What are the key properties of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine?
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 241.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 166193691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).