6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine

C13H13ClN4O — CID 106375087

IUPAC6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
SMILESCc1nc(Cn2c(N)nc3ccc(Cl)cc32)oc1C
InChIInChI=1S/C13H13ClN4O/c1-7-8(2)19-12(16-7)6-18-11-5-9(14)3-4-10(11)17-13(18)15/h3-5H,6H2,1-2H3,(H2,15,17)
InChIKeyVIQQJPUAIUOOTA-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.93
Rot. Bonds2

About 6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine

6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine (PubChem CID 106375087) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
PubChem CID106375087
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
SMILESCc1nc(Cn2c(N)nc3ccc(Cl)cc32)oc1C
InChIInChI=1S/C13H13ClN4O/c1-7-8(2)19-12(16-7)6-18-11-5-9(14)3-4-10(11)17-13(18)15/h3-5H,6H2,1-2H3,(H2,15,17)
InChIKeyVIQQJPUAIUOOTA-UHFFFAOYSA-N
XLogP2.93
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
CID 115470651
6-chloro-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 115470581
2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375855
2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 116620548
6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
CID 114956852
2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375964
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106376371
1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053654
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746
6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470703
6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406239
6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 115470557

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine (CID 106375087) is 6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine is Cc1nc(Cn2c(N)nc3ccc(Cl)cc32)oc1C.
What is the InChIKey of 6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is VIQQJPUAIUOOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-7-8(2)19-12(16-7)6-18-11-5-9(14)3-4-10(11)17-13(18)15/h3-5H,6H2,1-2H3,(H2,15,17).
What are the key properties of 6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 276.73 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 106375087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).