(2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide

C17H23N3O2 — CID 95234012

IUPAC(2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide
SMILESC=CCO[C@H](C)C(=O)N[C@H](C)c1nc2ccccc2n1CC
InChIInChI=1S/C17H23N3O2/c1-5-11-22-13(4)17(21)18-12(3)16-19-14-9-7-8-10-15(14)20(16)6-2/h5,7-10,12-13H,1,6,11H2,2-4H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyWNESIWXCJUVWHJ-CHWSQXEVSA-N
MW301.39 g/mol
LogP2.82
Rot. Bonds7

About (2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide

(2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide (PubChem CID 95234012) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide
PubChem CID95234012
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide
SMILESC=CCO[C@H](C)C(=O)N[C@H](C)c1nc2ccccc2n1CC
InChIInChI=1S/C17H23N3O2/c1-5-11-22-13(4)17(21)18-12(3)16-19-14-9-7-8-10-15(14)20(16)6-2/h5,7-10,12-13H,1,6,11H2,2-4H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyWNESIWXCJUVWHJ-CHWSQXEVSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119866200
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969940
N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16969944
2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969002

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide?
The IUPAC name of (2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide (CID 95234012) is (2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide is C=CCO[C@H](C)C(=O)N[C@H](C)c1nc2ccccc2n1CC.
What is the InChIKey of (2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide?
The InChIKey is WNESIWXCJUVWHJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-11-22-13(4)17(21)18-12(3)16-19-14-9-7-8-10-15(14)20(16)6-2/h5,7-10,12-13H,1,6,11H2,2-4H3,(H,18,21)/t12-,13-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide?
(2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide has a molecular weight of 301.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide is sourced from PubChem (CID 95234012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).