[2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine

C14H14ClN3O — CID 106690304

IUPAC[2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine
SMILESCCn1c(-c2ccc(Cl)o2)nc2cc(CN)ccc21
InChIInChI=1S/C14H14ClN3O/c1-2-18-11-4-3-9(8-16)7-10(11)17-14(18)12-5-6-13(15)19-12/h3-7H,2,8,16H2,1H3
InChIKeyNLORLFRFJWJGQV-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.43
Rot. Bonds3

About [2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine

[2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine (PubChem CID 106690304) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is [2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine
PubChem CID106690304
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name[2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine
SMILESCCn1c(-c2ccc(Cl)o2)nc2cc(CN)ccc21
InChIInChI=1S/C14H14ClN3O/c1-2-18-11-4-3-9(8-16)7-10(11)17-14(18)12-5-6-13(15)19-12/h3-7H,2,8,16H2,1H3
InChIKeyNLORLFRFJWJGQV-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine
CID 106690306
[2-(2,5-dimethylpyrazol-3-yl)-1-ethylbenzimidazol-5-yl]methanamine
CID 66127163
[2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine
CID 107994624
[1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine
CID 65038016
[1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine
CID 65038302
5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid
CID 84786621
[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
CID 65038202
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224
5-chloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161925
[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine
CID 115472637
[2-(2-cyclopentylethyl)-1-ethylbenzimidazol-5-yl]methanamine
CID 65038299
5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole
CID 117259364

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine (CID 106690304) is [2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine is CCn1c(-c2ccc(Cl)o2)nc2cc(CN)ccc21.
What is the InChIKey of [2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine?
The InChIKey is NLORLFRFJWJGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-2-18-11-4-3-9(8-16)7-10(11)17-14(18)12-5-6-13(15)19-12/h3-7H,2,8,16H2,1H3.
What are the key properties of [2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine?
[2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine has a molecular weight of 275.74 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorofuran-2-yl)-1-ethylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 106690304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).