(1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine

C17H21N3O — CID 81392850

IUPAC(1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCCn1c(CN[C@H](C)c2ccco2)nc2ccccc21
InChIInChI=1S/C17H21N3O/c1-3-10-20-15-8-5-4-7-14(15)19-17(20)12-18-13(2)16-9-6-11-21-16/h4-9,11,13,18H,3,10,12H2,1-2H3/t13-/m1/s1
InChIKeyMYXRVWCJAWZSCN-CYBMUJFWSA-N
MW283.38 g/mol
LogP3.89
Rot. Bonds6

About (1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine

(1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine (PubChem CID 81392850) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
PubChem CID81392850
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCCn1c(CN[C@H](C)c2ccco2)nc2ccccc21
InChIInChI=1S/C17H21N3O/c1-3-10-20-15-8-5-4-7-14(15)19-17(20)12-18-13(2)16-9-6-11-21-16/h4-9,11,13,18H,3,10,12H2,1-2H3/t13-/m1/s1
InChIKeyMYXRVWCJAWZSCN-CYBMUJFWSA-N
XLogP3.89
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine (CID 81392850) is (1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine is CCCn1c(CN[C@H](C)c2ccco2)nc2ccccc21.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is MYXRVWCJAWZSCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-10-20-15-8-5-4-7-14(15)19-17(20)12-18-13(2)16-9-6-11-21-16/h4-9,11,13,18H,3,10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine?
(1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 283.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81392850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).