5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine

C15H16ClN5 — CID 10236520

IUPAC5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine
SMILESCC(C)Cn1c(-c2nc(Cl)cnc2N)nc2ccccc21
InChIInChI=1S/C15H16ClN5/c1-9(2)8-21-11-6-4-3-5-10(11)19-15(21)13-14(17)18-7-12(16)20-13/h3-7,9H,8H2,1-2H3,(H2,17,18)
InChIKeyDWXYJALYMZOZJH-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.38
Rot. Bonds3

About 5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine

5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine (PubChem CID 10236520) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine
PubChem CID10236520
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine
SMILESCC(C)Cn1c(-c2nc(Cl)cnc2N)nc2ccccc21
InChIInChI=1S/C15H16ClN5/c1-9(2)8-21-11-6-4-3-5-10(11)19-15(21)13-14(17)18-7-12(16)20-13/h3-7,9H,8H2,1-2H3,(H2,17,18)
InChIKeyDWXYJALYMZOZJH-UHFFFAOYSA-N
XLogP3.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dichloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine
CID 10193448
3-chloro-2-N-(2-methylpropyl)-5-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazine-2,6-diamine
CID 10150387
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
CID 46310887
(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
CID 133143576
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669
2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272036
2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
CID 18878777
1-(2-methylpropyl)-2-(3-nitrophenyl)benzimidazole
CID 146024319
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 53216173
[5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 22459964

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine?
The IUPAC name of 5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine (CID 10236520) is 5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine is CC(C)Cn1c(-c2nc(Cl)cnc2N)nc2ccccc21.
What is the InChIKey of 5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine?
The InChIKey is DWXYJALYMZOZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-9(2)8-21-11-6-4-3-5-10(11)19-15(21)13-14(17)18-7-12(16)20-13/h3-7,9H,8H2,1-2H3,(H2,17,18).
What are the key properties of 5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine?
5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine has a molecular weight of 301.78 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 10236520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).