ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate

C12H15N3O2 — CID 82562533

IUPACethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-3-17-11(16)7-13-12-14-9-5-4-8(2)6-10(9)15-12/h4-6H,3,7H2,1-2H3,(H2,13,14,15)
InChIKeyHCXWAJDSZBPHFW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate

ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate (PubChem CID 82562533) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
PubChem CID82562533
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nameethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-3-17-11(16)7-13-12-14-9-5-4-8(2)6-10(9)15-12/h4-6H,3,7H2,1-2H3,(H2,13,14,15)
InChIKeyHCXWAJDSZBPHFW-UHFFFAOYSA-N
XLogP1.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607
2-[(2-methoxy-2-oxoethyl)amino]-3H-benzimidazole-5-carboxylic acid
CID 54123271
3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
CID 2053602
ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate
CID 4109942
ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82563616
1-tert-butyl-3-(6-methyl-1H-benzimidazol-2-yl)urea
CID 102320538
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
(6-methyl-1H-benzimidazol-2-yl)thiourea
CID 6917301
ethyl 2-(2-chloro-5-methylanilino)acetate
CID 103768009
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
ethyl 2-(thiophen-2-ylmethylamino)-3H-benzimidazole-5-carboxylate
CID 82564599
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate (CID 82562533) is ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate is CCOC(=O)CNc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate?
The InChIKey is HCXWAJDSZBPHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-17-11(16)7-13-12-14-9-5-4-8(2)6-10(9)15-12/h4-6H,3,7H2,1-2H3,(H2,13,14,15).
What are the key properties of ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate?
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate has a molecular weight of 233.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate is sourced from PubChem (CID 82562533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).