4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine

C13H16ClN3O — CID 113459060

IUPAC4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine
SMILESCC1(Cn2c(N)nc3c(Cl)cccc32)CCCO1
InChIInChI=1S/C13H16ClN3O/c1-13(6-3-7-18-13)8-17-10-5-2-4-9(14)11(10)16-12(17)15/h2,4-5H,3,6-8H2,1H3,(H2,15,16)
InChIKeyYVHPJOYERWLIAZ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.84
Rot. Bonds2

About 4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine

4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine (PubChem CID 113459060) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine
PubChem CID113459060
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine
SMILESCC1(Cn2c(N)nc3c(Cl)cccc32)CCCO1
InChIInChI=1S/C13H16ClN3O/c1-13(6-3-7-18-13)8-17-10-5-2-4-9(14)11(10)16-12(17)15/h2,4-5H,3,6-8H2,1H3,(H2,15,16)
InChIKeyYVHPJOYERWLIAZ-UHFFFAOYSA-N
XLogP2.84
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyloxolan-2-yl)methyl]imidazo[4,5-c]quinolin-2-amine
CID 103964539
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 104837059
4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 104837112
4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine
CID 106294645
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 104836904
4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
CID 106008029
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
4-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 104837217

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine (CID 113459060) is 4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine is CC1(Cn2c(N)nc3c(Cl)cccc32)CCCO1.
What is the InChIKey of 4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is YVHPJOYERWLIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-13(6-3-7-18-13)8-17-10-5-2-4-9(14)11(10)16-12(17)15/h2,4-5H,3,6-8H2,1H3,(H2,15,16).
What are the key properties of 4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine?
4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 265.74 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2-methyloxolan-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 113459060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).