3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine

C14H12ClN5 — CID 63261925

IUPAC3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C14H12ClN5/c15-8-1-4-11-10(7-8)19-14(20(11)9-2-3-9)12-13(16)18-6-5-17-12/h1,4-7,9H,2-3H2,(H2,16,18)
InChIKeyPEARYGHNTBIJPA-UHFFFAOYSA-N
MW285.74 g/mol
LogP3.06
Rot. Bonds2

About 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine

3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine (PubChem CID 63261925) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine
PubChem CID63261925
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C14H12ClN5/c15-8-1-4-11-10(7-8)19-14(20(11)9-2-3-9)12-13(16)18-6-5-17-12/h1,4-7,9H,2-3H2,(H2,16,18)
InChIKeyPEARYGHNTBIJPA-UHFFFAOYSA-N
XLogP3.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60785041
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783299
3-chloro-4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 61399162
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol
CID 136750867
[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66379118
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
CID 60808589
2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66379416
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 62807137
5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
CID 54919972
6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
CID 60783944
4-chloro-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473292

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine?
The IUPAC name of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine (CID 63261925) is 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine is Nc1nccnc1-c1nc2cc(Cl)ccc2n1C1CC1.
What is the InChIKey of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine?
The InChIKey is PEARYGHNTBIJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c15-8-1-4-11-10(7-8)19-14(20(11)9-2-3-9)12-13(16)18-6-5-17-12/h1,4-7,9H,2-3H2,(H2,16,18).
What are the key properties of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine?
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine has a molecular weight of 285.74 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 63261925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).