1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one

C22H26N4O2 — CID 166363302

IUPAC1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CC(=O)N2CCC(CN)c3ccccc32)c2ccccc21
InChIInChI=1S/C22H26N4O2/c1-2-12-25-19-9-5-6-10-20(19)26(22(25)28)15-21(27)24-13-11-16(14-23)17-7-3-4-8-18(17)24/h3-10,16H,2,11-15,23H2,1H3
InChIKeyRGZKGWYWHMCEPD-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.69
Rot. Bonds5

About 1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one

1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one (PubChem CID 166363302) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one
PubChem CID166363302
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CC(=O)N2CCC(CN)c3ccccc32)c2ccccc21
InChIInChI=1S/C22H26N4O2/c1-2-12-25-19-9-5-6-10-20(19)26(22(25)28)15-21(27)24-13-11-16(14-23)17-7-3-4-8-18(17)24/h3-10,16H,2,11-15,23H2,1H3
InChIKeyRGZKGWYWHMCEPD-UHFFFAOYSA-N
XLogP2.69
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one?
The IUPAC name of 1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one (CID 166363302) is 1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one?
The canonical SMILES for 1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one is CCCn1c(=O)n(CC(=O)N2CCC(CN)c3ccccc32)c2ccccc21.
What is the InChIKey of 1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one?
The InChIKey is RGZKGWYWHMCEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-12-25-19-9-5-6-10-20(19)26(22(25)28)15-21(27)24-13-11-16(14-23)17-7-3-4-8-18(17)24/h3-10,16H,2,11-15,23H2,1H3.
What are the key properties of 1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one?
1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one is sourced from PubChem (CID 166363302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).