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

C13H24N4O — CID 106719404

IUPACN-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1cnc(CNC(C)C)c1
InChIInChI=1S/C13H24N4O/c1-4-5-6-14-13(18)9-17-8-12(16-10-17)7-15-11(2)3/h8,10-11,15H,4-7,9H2,1-3H3,(H,14,18)
InChIKeyROHNHGBSZMIOQL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.30
Rot. Bonds8

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

N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide (PubChem CID 106719404) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
PubChem CID106719404
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1cnc(CNC(C)C)c1
InChIInChI=1S/C13H24N4O/c1-4-5-6-14-13(18)9-17-8-12(16-10-17)7-15-11(2)3/h8,10-11,15H,4-7,9H2,1-3H3,(H,14,18)
InChIKeyROHNHGBSZMIOQL-UHFFFAOYSA-N
XLogP1.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719405
N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719440
N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide
CID 155582672
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719454
2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 106720364
2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide
CID 106717474
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone
CID 106719508
N-(2-methoxyethyl)-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetamide
CID 106720510
N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide
CID 79984949
2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide
CID 106718094
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719368
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide (CID 106719404) is N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide is CCCCNC(=O)Cn1cnc(CNC(C)C)c1.
What is the InChIKey of N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The InChIKey is ROHNHGBSZMIOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-5-6-14-13(18)9-17-8-12(16-10-17)7-15-11(2)3/h8,10-11,15H,4-7,9H2,1-3H3,(H,14,18).
What are the key properties of N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide has a molecular weight of 252.36 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 106719404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).