methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate

C16H23N3O2 — CID 115970954

IUPACmethyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate
SMILESCCCc1nc2ccccc2n1CC(NCC)C(=O)OC
InChIInChI=1S/C16H23N3O2/c1-4-8-15-18-12-9-6-7-10-14(12)19(15)11-13(17-5-2)16(20)21-3/h6-7,9-10,13,17H,4-5,8,11H2,1-3H3
InChIKeyQGPBFLVBXZQJMC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.14
Rot. Bonds7

About methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate

methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate (PubChem CID 115970954) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate
PubChem CID115970954
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namemethyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate
SMILESCCCc1nc2ccccc2n1CC(NCC)C(=O)OC
InChIInChI=1S/C16H23N3O2/c1-4-8-15-18-12-9-6-7-10-14(12)19(15)11-13(17-5-2)16(20)21-3/h6-7,9-10,13,17H,4-5,8,11H2,1-3H3
InChIKeyQGPBFLVBXZQJMC-UHFFFAOYSA-N
XLogP2.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol
CID 112568352
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol
CID 115971237
3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one
CID 112632250
3,3-dimethyl-1-(2-propylbenzimidazol-1-yl)butan-2-amine
CID 112632168
N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine
CID 115970703
N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 115569298
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
CID 61151100
3-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]butane-1-thiol
CID 112632540
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate
CID 7029928
2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid
CID 115970980

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate?
The IUPAC name of methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate (CID 115970954) is methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate?
The canonical SMILES for methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate is CCCc1nc2ccccc2n1CC(NCC)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate?
The InChIKey is QGPBFLVBXZQJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-8-15-18-12-9-6-7-10-14(12)19(15)11-13(17-5-2)16(20)21-3/h6-7,9-10,13,17H,4-5,8,11H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate?
methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate has a molecular weight of 289.38 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate is sourced from PubChem (CID 115970954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).