(5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one

C17H24N4O — CID 129323268

IUPAC(5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one
SMILESCc1nc2ccccc2n1CCN[C@H](C)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C17H24N4O/c1-12(11-14-7-8-17(22)20-14)18-9-10-21-13(2)19-15-5-3-4-6-16(15)21/h3-6,12,14,18H,7-11H2,1-2H3,(H,20,22)/t12-,14+/m1/s1
InChIKeySYUUQNBAMYIJNB-OCCSQVGLSA-N
MW300.41 g/mol
LogP1.99
Rot. Bonds6

About (5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one

(5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one (PubChem CID 129323268) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one
PubChem CID129323268
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one
SMILESCc1nc2ccccc2n1CCN[C@H](C)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C17H24N4O/c1-12(11-14-7-8-17(22)20-14)18-9-10-21-13(2)19-15-5-3-4-6-16(15)21/h3-6,12,14,18H,7-11H2,1-2H3,(H,20,22)/t12-,14+/m1/s1
InChIKeySYUUQNBAMYIJNB-OCCSQVGLSA-N
XLogP1.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine
CID 62536970
5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine
CID 43103364
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine
CID 115707746
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 62839430
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
CID 43394941
2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 79864476
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-3-amine
CID 62871960
N-(2-cyclohexyl-6-oxopiperidin-3-yl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 46952784
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 60565736

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one (CID 129323268) is (5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one is Cc1nc2ccccc2n1CCN[C@H](C)C[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one?
The InChIKey is SYUUQNBAMYIJNB-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(11-14-7-8-17(22)20-14)18-9-10-21-13(2)19-15-5-3-4-6-16(15)21/h3-6,12,14,18H,7-11H2,1-2H3,(H,20,22)/t12-,14+/m1/s1.
What are the key properties of (5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one?
(5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one has a molecular weight of 300.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 129323268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).