2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid

C12H15N3O2 — CID 115171173

IUPAC2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
SMILESCc1nc2cc(CCNC(=O)O)ccc2n1C
InChIInChI=1S/C12H15N3O2/c1-8-14-10-7-9(5-6-13-12(16)17)3-4-11(10)15(8)2/h3-4,7,13H,5-6H2,1-2H3,(H,16,17)
InChIKeyFJBLGOGOICUTFY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.69
Rot. Bonds3

About 2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid

2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid (PubChem CID 115171173) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
PubChem CID115171173
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
SMILESCc1nc2cc(CCNC(=O)O)ccc2n1C
InChIInChI=1S/C12H15N3O2/c1-8-14-10-7-9(5-6-13-12(16)17)3-4-11(10)15(8)2/h3-4,7,13H,5-6H2,1-2H3,(H,16,17)
InChIKeyFJBLGOGOICUTFY-UHFFFAOYSA-N
XLogP1.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
CID 115153026
1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110776234
3-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]propanoic acid
CID 112519294
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
CID 115216317
N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773172
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110791794
1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide
CID 110796185
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine
CID 95419153
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate
CID 96675259
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol
CID 115133588
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid?
The IUPAC name of 2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid (CID 115171173) is 2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid?
The canonical SMILES for 2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid is Cc1nc2cc(CCNC(=O)O)ccc2n1C.
What is the InChIKey of 2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid?
The InChIKey is FJBLGOGOICUTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-14-10-7-9(5-6-13-12(16)17)3-4-11(10)15(8)2/h3-4,7,13H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid?
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid has a molecular weight of 233.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid is sourced from PubChem (CID 115171173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).