N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide

C10H18N4O — CID 106719440

IUPACN-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
SMILESCNC(=O)Cn1cnc(CNC(C)C)c1
InChIInChI=1S/C10H18N4O/c1-8(2)12-4-9-5-14(7-13-9)6-10(15)11-3/h5,7-8,12H,4,6H2,1-3H3,(H,11,15)
InChIKeyGHERSLMTODSRLO-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.13
Rot. Bonds5

About N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide

N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide (PubChem CID 106719440) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
PubChem CID106719440
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
SMILESCNC(=O)Cn1cnc(CNC(C)C)c1
InChIInChI=1S/C10H18N4O/c1-8(2)12-4-9-5-14(7-13-9)6-10(15)11-3/h5,7-8,12H,4,6H2,1-3H3,(H,11,15)
InChIKeyGHERSLMTODSRLO-UHFFFAOYSA-N
XLogP0.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719405
N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719404
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719454
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone
CID 106719508
N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide
CID 155582672
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol
CID 106719587
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719505
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719431
N-[[1-(2-tert-butylsulfanylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 114271401
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719368

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide (CID 106719440) is N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide is CNC(=O)Cn1cnc(CNC(C)C)c1.
What is the InChIKey of N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The InChIKey is GHERSLMTODSRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(2)12-4-9-5-14(7-13-9)6-10(15)11-3/h5,7-8,12H,4,6H2,1-3H3,(H,11,15).
What are the key properties of N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide has a molecular weight of 210.28 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 106719440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).