5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine

C13H14BrN5 — CID 103008382

IUPAC5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCn1nccc1CCn1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C13H14BrN5/c1-18-10(4-6-16-18)5-7-19-12-3-2-9(14)8-11(12)17-13(19)15/h2-4,6,8H,5,7H2,1H3,(H2,15,17)
InChIKeyGVAIXDJTAUVPRB-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.36
Rot. Bonds3

About 5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine

5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine (PubChem CID 103008382) has the molecular formula C13H14BrN5 and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
PubChem CID103008382
Molecular FormulaC13H14BrN5
Molecular Weight320.19 g/mol
Exact Mass319.04
IUPAC Name5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCn1nccc1CCn1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C13H14BrN5/c1-18-10(4-6-16-18)5-7-19-12-3-2-9(14)8-11(12)17-13(19)15/h2-4,6,8H,5,7H2,1H3,(H2,15,17)
InChIKeyGVAIXDJTAUVPRB-UHFFFAOYSA-N
XLogP2.36
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008434
5-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80688565
5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine
CID 62616840
5-bromo-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 63330148
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008397
5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
CID 106431753
5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661463
2-(2-chloroethyl)-5-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazole
CID 103008671
2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea
CID 83114870
5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
CID 82872876

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine (CID 103008382) is 5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine is Cn1nccc1CCn1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
The InChIKey is GVAIXDJTAUVPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5/c1-18-10(4-6-16-18)5-7-19-12-3-2-9(14)8-11(12)17-13(19)15/h2-4,6,8H,5,7H2,1H3,(H2,15,17).
What are the key properties of 5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine has a molecular weight of 320.19 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 103008382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).