1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine

C13H21N5 — CID 106569258

IUPAC1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NCCn1ccnc1
InChIInChI=1S/C13H21N5/c1-3-4-7-18-10-12(2)16-13(18)15-6-9-17-8-5-14-11-17/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,15,16)
InChIKeyXBCPAYNZHFFBRB-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.30
Rot. Bonds7

About 1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine

1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine (PubChem CID 106569258) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine
PubChem CID106569258
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NCCn1ccnc1
InChIInChI=1S/C13H21N5/c1-3-4-7-18-10-12(2)16-13(18)15-6-9-17-8-5-14-11-17/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,15,16)
InChIKeyXBCPAYNZHFFBRB-UHFFFAOYSA-N
XLogP2.30
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569292
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571787
1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582355
1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine
CID 106565967
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576454
sodium;1-butylimidazole;bromide
CID 175480877
4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine
CID 106579279
N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582984

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine (CID 106569258) is 1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine is CCCCn1cc(C)nc1NCCn1ccnc1.
What is the InChIKey of 1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine?
The InChIKey is XBCPAYNZHFFBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-4-7-18-10-12(2)16-13(18)15-6-9-17-8-5-14-11-17/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of 1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine?
1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine has a molecular weight of 247.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106569258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).