N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine

C13H21N5 — CID 131916831

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine
SMILESCc1nccn1CCC(C)NCCc1ncc[nH]1
InChIInChI=1S/C13H21N5/c1-11(4-9-18-10-8-15-12(18)2)14-5-3-13-16-6-7-17-13/h6-8,10-11,14H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyKNZZNSHRQKBIEN-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.53
Rot. Bonds7

About N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine

N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine (PubChem CID 131916831) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine
PubChem CID131916831
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine
SMILESCc1nccn1CCC(C)NCCc1ncc[nH]1
InChIInChI=1S/C13H21N5/c1-11(4-9-18-10-8-15-12(18)2)14-5-3-13-16-6-7-17-13/h6-8,10-11,14H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyKNZZNSHRQKBIEN-UHFFFAOYSA-N
XLogP1.53
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethylimidazole
CID 66130
2,2'-Biimidazole
CID 101463
2-Propylimidazole
CID 162617
1,4-bis(1H-imidazol-2-ylmethyl)piperazine
CID 272245
5H,6H,7H-pyrrolo(1,2-a)imidazol-7-amine
CID 45087161
1-methyl-2-(pyrrolidin-3-yl)-1H-imidazole
CID 69121108
3-(1H-Imidazol-2-yl)propan-1-amine
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2-[12-(1H-imidazol-2-yl)dodecyl]-1H-imidazole
CID 44436239
1-(2-(1H-Imidazol-2-yl)ethyl)guanidine
CID 44331455
1H-Imidazole-2-ethanamine
CID 3082145
bis(N-methylimidazole-2-yl)methane
CID 10080906
2-methyl-1-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61686283

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine (CID 131916831) is N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine is Cc1nccn1CCC(C)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
The InChIKey is KNZZNSHRQKBIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-11(4-9-18-10-8-15-12(18)2)14-5-3-13-16-6-7-17-13/h6-8,10-11,14H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine is sourced from PubChem (CID 131916831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).