ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid

C13H17N3O3 — CID 143887823

IUPACethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid
SMILESCC.Cc1ccc2nc(C(=O)NCC(=O)O)[nH]c2c1
InChIInChI=1S/C11H11N3O3.C2H6/c1-6-2-3-7-8(4-6)14-10(13-7)11(17)12-5-9(15)16;1-2/h2-4H,5H2,1H3,(H,12,17)(H,13,14)(H,15,16);1-2H3
InChIKeyPFKSVPDXYFHFDQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.71
Rot. Bonds3

About ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid

ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid (PubChem CID 143887823) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Nameethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid
PubChem CID143887823
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Nameethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid
SMILESCC.Cc1ccc2nc(C(=O)NCC(=O)O)[nH]c2c1
InChIInChI=1S/C11H11N3O3.C2H6/c1-6-2-3-7-8(4-6)14-10(13-7)11(17)12-5-9(15)16;1-2/h2-4H,5H2,1H3,(H,12,17)(H,13,14)(H,15,16);1-2H3
InChIKeyPFKSVPDXYFHFDQ-UHFFFAOYSA-N
XLogP1.71
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide
CID 95554120
1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane
CID 168980349
(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
CID 57126569
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 83857711
N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide
CID 157297296
2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid
CID 110490348
N-[[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-pyridinyl]methyl]-6-methyl-1H-benzimidazole-2-carboxamide
CID 171504998
N-butyl-6-methoxy-1H-benzimidazole-2-carboxamide
CID 69198696
2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid?
The IUPAC name of ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid (CID 143887823) is ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid?
The canonical SMILES for ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid is CC.Cc1ccc2nc(C(=O)NCC(=O)O)[nH]c2c1.
What is the InChIKey of ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid?
The InChIKey is PFKSVPDXYFHFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3.C2H6/c1-6-2-3-7-8(4-6)14-10(13-7)11(17)12-5-9(15)16;1-2/h2-4H,5H2,1H3,(H,12,17)(H,13,14)(H,15,16);1-2H3.
What are the key properties of ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid?
ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid has a molecular weight of 263.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 143887823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).