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

C12H12BrN5 — CID 82872876

IUPAC5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
SMILESCn1ccc(Cn2c(N)nc3cc(Br)ccc32)n1
InChIInChI=1S/C12H12BrN5/c1-17-5-4-9(16-17)7-18-11-3-2-8(13)6-10(11)15-12(18)14/h2-6H,7H2,1H3,(H2,14,15)
InChIKeySIFQJWCQRVCGNA-UHFFFAOYSA-N
MW306.17 g/mol
LogP2.16
Rot. Bonds2

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

5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine (PubChem CID 82872876) has the molecular formula C12H12BrN5 and a molecular weight of 306.17 g/mol. Its IUPAC name is 5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
PubChem CID82872876
Molecular FormulaC12H12BrN5
Molecular Weight306.17 g/mol
Exact Mass305.03
IUPAC Name5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
SMILESCn1ccc(Cn2c(N)nc3cc(Br)ccc32)n1
InChIInChI=1S/C12H12BrN5/c1-17-5-4-9(16-17)7-18-11-3-2-8(13)6-10(11)15-12(18)14/h2-6H,7H2,1H3,(H2,14,15)
InChIKeySIFQJWCQRVCGNA-UHFFFAOYSA-N
XLogP2.16
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazol-2-amine
CID 62117929
5-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80688565
5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661463
5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine
CID 64696156
5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
CID 106105762
6-bromo-2-(1-chloroethyl)-1-[(1-methylpyrazol-3-yl)methyl]benzimidazole
CID 82873445
5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008382
5-bromo-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 63330148
5-bromo-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661491
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938
2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 170008421
5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
CID 106431753

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine (CID 82872876) is 5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine is Cn1ccc(Cn2c(N)nc3cc(Br)ccc32)n1.
What is the InChIKey of 5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine?
The InChIKey is SIFQJWCQRVCGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5/c1-17-5-4-9(16-17)7-18-11-3-2-8(13)6-10(11)15-12(18)14/h2-6H,7H2,1H3,(H2,14,15).
What are the key properties of 5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine?
5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine has a molecular weight of 306.17 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 82872876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).