ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate

C14H19N3O2 — CID 115128693

IUPACethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate
SMILESCCOC(=O)C(C)(C)Nc1ccc2c(c1)ncn2C
InChIInChI=1S/C14H19N3O2/c1-5-19-13(18)14(2,3)16-10-6-7-12-11(8-10)15-9-17(12)4/h6-9,16H,5H2,1-4H3
InChIKeyBDVRSDYBMSWVJV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.33
Rot. Bonds4

About ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate

ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate (PubChem CID 115128693) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate
PubChem CID115128693
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate
SMILESCCOC(=O)C(C)(C)Nc1ccc2c(c1)ncn2C
InChIInChI=1S/C14H19N3O2/c1-5-19-13(18)14(2,3)16-10-6-7-12-11(8-10)15-9-17(12)4/h6-9,16H,5H2,1-4H3
InChIKeyBDVRSDYBMSWVJV-UHFFFAOYSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylbenzimidazol-5-yl)urea
CID 12521213
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol
CID 115135155
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate
CID 115128288
ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate
CID 110869320
2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115186851
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
ethyl 2-methyl-2-[4-(2-trimethylsilylethynyl)anilino]propanoate
CID 156809133
(1-methylbenzimidazol-5-yl) N-ethylcarbamate
CID 90538309
3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115154935
3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide
CID 166390713
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine
CID 115212382

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate (CID 115128693) is ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate is CCOC(=O)C(C)(C)Nc1ccc2c(c1)ncn2C.
What is the InChIKey of ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate?
The InChIKey is BDVRSDYBMSWVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-19-13(18)14(2,3)16-10-6-7-12-11(8-10)15-9-17(12)4/h6-9,16H,5H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate?
ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate has a molecular weight of 261.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate is sourced from PubChem (CID 115128693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).