5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine

C13H13N5 — CID 79754305

IUPAC5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
SMILESCn1c(Cc2cnc(N)cn2)nc2ccccc21
InChIInChI=1S/C13H13N5/c1-18-11-5-3-2-4-10(11)17-13(18)6-9-7-16-12(14)8-15-9/h2-5,7-8H,6H2,1H3,(H2,14,16)
InChIKeyKGXQXXVYULLUSH-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.54
Rot. Bonds2

About 5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine

5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine (PubChem CID 79754305) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
PubChem CID79754305
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
SMILESCn1c(Cc2cnc(N)cn2)nc2ccccc21
InChIInChI=1S/C13H13N5/c1-18-11-5-3-2-4-10(11)17-13(18)6-9-7-16-12(14)8-15-9/h2-5,7-8H,6H2,1H3,(H2,14,16)
InChIKeyKGXQXXVYULLUSH-UHFFFAOYSA-N
XLogP1.54
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-ethylbenzimidazol-1-yl)methyl]pyrazin-2-amine
CID 103057307
5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79750643
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807
5-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79753257
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107602854
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methylpyrazin-2-yl)methanamine
CID 63756235
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole
CID 79753901
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine (CID 79754305) is 5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine is Cn1c(Cc2cnc(N)cn2)nc2ccccc21.
What is the InChIKey of 5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine?
The InChIKey is KGXQXXVYULLUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-11-5-3-2-4-10(11)17-13(18)6-9-7-16-12(14)8-15-9/h2-5,7-8H,6H2,1H3,(H2,14,16).
What are the key properties of 5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine?
5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 79754305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).