(1-methylimidazol-2-yl)methylcarbamic acid

C6H9N3O2 — CID 89157603

IUPAC(1-methylimidazol-2-yl)methylcarbamic acid
SMILESCn1ccnc1CNC(=O)O
InChIInChI=1S/C6H9N3O2/c1-9-3-2-7-5(9)4-8-6(10)11/h2-3,8H,4H2,1H3,(H,10,11)
InChIKeyWTSVDBCKVQVRIO-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.19
Rot. Bonds2

About (1-methylimidazol-2-yl)methylcarbamic acid

(1-methylimidazol-2-yl)methylcarbamic acid (PubChem CID 89157603) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)methylcarbamic acid
PubChem CID89157603
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(1-methylimidazol-2-yl)methylcarbamic acid
SMILESCn1ccnc1CNC(=O)O
InChIInChI=1S/C6H9N3O2/c1-9-3-2-7-5(9)4-8-6(10)11/h2-3,8H,4H2,1H3,(H,10,11)
InChIKeyWTSVDBCKVQVRIO-UHFFFAOYSA-N
XLogP0.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide
CID 63295768
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63666126
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 65266755
2-methyl-4-[(1-methylimidazol-2-yl)methylcarbamoylamino]butanoic acid
CID 80541064

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)methylcarbamic acid?
The IUPAC name of (1-methylimidazol-2-yl)methylcarbamic acid (CID 89157603) is (1-methylimidazol-2-yl)methylcarbamic acid.
What is the SMILES notation for (1-methylimidazol-2-yl)methylcarbamic acid?
The canonical SMILES for (1-methylimidazol-2-yl)methylcarbamic acid is Cn1ccnc1CNC(=O)O.
What is the InChIKey of (1-methylimidazol-2-yl)methylcarbamic acid?
The InChIKey is WTSVDBCKVQVRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-9-3-2-7-5(9)4-8-6(10)11/h2-3,8H,4H2,1H3,(H,10,11).
What are the key properties of (1-methylimidazol-2-yl)methylcarbamic acid?
(1-methylimidazol-2-yl)methylcarbamic acid has a molecular weight of 155.16 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)methylcarbamic acid is sourced from PubChem (CID 89157603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).