4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine

C14H14ClN3O — CID 104836966

IUPAC4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine
SMILESCC(Cc1ccco1)n1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C14H14ClN3O/c1-9(8-10-4-3-7-19-10)18-12-6-2-5-11(15)13(12)17-14(18)16/h2-7,9H,8H2,1H3,(H2,16,17)
InChIKeyUOUYBRJISUWTJU-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.67
Rot. Bonds3

About 4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine

4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine (PubChem CID 104836966) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine
PubChem CID104836966
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine
SMILESCC(Cc1ccco1)n1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C14H14ClN3O/c1-9(8-10-4-3-7-19-10)18-12-6-2-5-11(15)13(12)17-14(18)16/h2-7,9H,8H2,1H3,(H2,16,17)
InChIKeyUOUYBRJISUWTJU-UHFFFAOYSA-N
XLogP3.67
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113477819
4-chloro-1-octan-2-ylbenzimidazol-2-amine
CID 104836976
4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
CID 104836790
1-propan-2-ylbenzimidazole-2,4-diamine
CID 84771598
4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine
CID 104837082
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
CID 61472347
4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine
CID 63292479
2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
CID 115509302
2-bromo-4-chloro-1-propan-2-ylbenzimidazole
CID 83845123
4-chloro-2-methyl-1-propan-2-ylbenzimidazole
CID 83449668
3-[4-(furan-2-yl)butan-2-yl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288390
2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine
CID 79292030

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine (CID 104836966) is 4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine is CC(Cc1ccco1)n1c(N)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine?
The InChIKey is UOUYBRJISUWTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9(8-10-4-3-7-19-10)18-12-6-2-5-11(15)13(12)17-14(18)16/h2-7,9H,8H2,1H3,(H2,16,17).
What are the key properties of 4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine?
4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine has a molecular weight of 275.74 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine is sourced from PubChem (CID 104836966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).