6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole

C15H15ClN2O — CID 46310200

IUPAC6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole
SMILESCC(C)c1nc2ccc(Cl)cc2n1Cc1ccco1
InChIInChI=1S/C15H15ClN2O/c1-10(2)15-17-13-6-5-11(16)8-14(13)18(15)9-12-4-3-7-19-12/h3-8,10H,9H2,1-2H3
InChIKeyWJEFGRAVRBDPME-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.45
Rot. Bonds3

About 6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole

6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole (PubChem CID 46310200) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole
PubChem CID46310200
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole
SMILESCC(C)c1nc2ccc(Cl)cc2n1Cc1ccco1
InChIInChI=1S/C15H15ClN2O/c1-10(2)15-17-13-6-5-11(16)8-14(13)18(15)9-12-4-3-7-19-12/h3-8,10H,9H2,1-2H3
InChIKeyWJEFGRAVRBDPME-UHFFFAOYSA-N
XLogP4.45
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 46310271
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 46310272
[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol
CID 46310204
6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole
CID 46310221
6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46310244
6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 115471213
6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
CID 46309104
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole
CID 46310252
2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole
CID 43666310
5-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 115471371
2-(1-chloroethyl)-6-fluoro-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 62377209
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]-N-methylmethanamine
CID 46310263

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole?
The IUPAC name of 6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole (CID 46310200) is 6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole?
The canonical SMILES for 6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole is CC(C)c1nc2ccc(Cl)cc2n1Cc1ccco1.
What is the InChIKey of 6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole?
The InChIKey is WJEFGRAVRBDPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10(2)15-17-13-6-5-11(16)8-14(13)18(15)9-12-4-3-7-19-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole?
6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole has a molecular weight of 274.75 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 46310200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).