1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine

C14H14ClN3O — CID 46310272

IUPAC1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
SMILESCC(N)c1nc2cc(Cl)ccc2n1Cc1ccco1
InChIInChI=1S/C14H14ClN3O/c1-9(16)14-17-12-7-10(15)4-5-13(12)18(14)8-11-3-2-6-19-11/h2-7,9H,8,16H2,1H3
InChIKeyLRCOAYGJRISCIA-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.35
Rot. Bonds3

About 1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine

1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine (PubChem CID 46310272) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
PubChem CID46310272
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
SMILESCC(N)c1nc2cc(Cl)ccc2n1Cc1ccco1
InChIInChI=1S/C14H14ClN3O/c1-9(16)14-17-12-7-10(15)4-5-13(12)18(14)8-11-3-2-6-19-11/h2-7,9H,8,16H2,1H3
InChIKeyLRCOAYGJRISCIA-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 46310271
6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole
CID 46310200
2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole
CID 43666310
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]-N-methylmethanamine
CID 46310263
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
CID 61472347
5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420492
(1S)-1-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54758434
5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole
CID 62307541
[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol
CID 46310204
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole
CID 46310221
1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol
CID 62594347

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine (CID 46310272) is 1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine is CC(N)c1nc2cc(Cl)ccc2n1Cc1ccco1.
What is the InChIKey of 1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is LRCOAYGJRISCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9(16)14-17-12-7-10(15)4-5-13(12)18(14)8-11-3-2-6-19-11/h2-7,9H,8,16H2,1H3.
What are the key properties of 1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine?
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 275.74 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 46310272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).