2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide

C10H15ClN4O2 — CID 63026922

IUPAC2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)Cc1nccn1C
InChIInChI=1S/C10H15ClN4O2/c1-7(11)9(16)13-10(17)15(3)6-8-12-4-5-14(8)2/h4-5,7H,6H2,1-3H3,(H,13,16,17)
InChIKeyCHPDRMVYMVUBGX-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.72
Rot. Bonds3

About 2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide

2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide (PubChem CID 63026922) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide
PubChem CID63026922
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)Cc1nccn1C
InChIInChI=1S/C10H15ClN4O2/c1-7(11)9(16)13-10(17)15(3)6-8-12-4-5-14(8)2/h4-5,7H,6H2,1-3H3,(H,13,16,17)
InChIKeyCHPDRMVYMVUBGX-UHFFFAOYSA-N
XLogP0.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 63026905
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
(2R)-4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]pentanoic acid
CID 78923453
3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 55144045
3-(3,4-dichlorophenyl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 71902046
(2S)-4-methoxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 63305347
(2S)-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 63026754
(Z)-2,3-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 63270410
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980175
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 113383759
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide (CID 63026922) is 2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)N(C)Cc1nccn1C.
What is the InChIKey of 2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide?
The InChIKey is CHPDRMVYMVUBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-7(11)9(16)13-10(17)15(3)6-8-12-4-5-14(8)2/h4-5,7H,6H2,1-3H3,(H,13,16,17).
What are the key properties of 2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide?
2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide has a molecular weight of 258.71 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide is sourced from PubChem (CID 63026922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).