6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine

C14H14ClN5 — CID 47151419

IUPAC6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine
SMILESCc1nc2ccccc2n1CCNc1cncc(Cl)n1
InChIInChI=1S/C14H14ClN5/c1-10-18-11-4-2-3-5-12(11)20(10)7-6-17-14-9-16-8-13(15)19-14/h2-5,8-9H,6-7H2,1H3,(H,17,19)
InChIKeySRKQJIZBTUPXHV-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.90
Rot. Bonds4

About 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine

6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine (PubChem CID 47151419) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine
PubChem CID47151419
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine
SMILESCc1nc2ccccc2n1CCNc1cncc(Cl)n1
InChIInChI=1S/C14H14ClN5/c1-10-18-11-4-2-3-5-12(11)20(10)7-6-17-14-9-16-8-13(15)19-14/h2-5,8-9H,6-7H2,1H3,(H,17,19)
InChIKeySRKQJIZBTUPXHV-UHFFFAOYSA-N
XLogP2.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 134001512
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2-(2-methylbenzimidazol-1-yl)ethanol
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6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
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N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide
CID 81257871
1-(4-methoxybutyl)-2-methylbenzimidazole
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N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
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3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine
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(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
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CID 62536970

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine (CID 47151419) is 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine is Cc1nc2ccccc2n1CCNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine?
The InChIKey is SRKQJIZBTUPXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-10-18-11-4-2-3-5-12(11)20(10)7-6-17-14-9-16-8-13(15)19-14/h2-5,8-9H,6-7H2,1H3,(H,17,19).
What are the key properties of 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine?
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine has a molecular weight of 287.75 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 47151419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).