2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole

C14H22N4O — CID 56742976

IUPAC2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2CCCOC)[nH]1
InChIInChI=1S/C14H22N4O/c1-3-4-6-13-16-11-12(17-13)14-15-7-9-18(14)8-5-10-19-2/h7,9,11H,3-6,8,10H2,1-2H3,(H,16,17)
InChIKeyMQGZSKKAYIUFAD-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.65
Rot. Bonds8

About 2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole

2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole (PubChem CID 56742976) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole
PubChem CID56742976
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2CCCOC)[nH]1
InChIInChI=1S/C14H22N4O/c1-3-4-6-13-16-11-12(17-13)14-15-7-9-18(14)8-5-10-19-2/h7,9,11H,3-6,8,10H2,1-2H3,(H,16,17)
InChIKeyMQGZSKKAYIUFAD-UHFFFAOYSA-N
XLogP2.65
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

MAT-POS-ea426761-49
CID 56864220
1-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56706438
N,N-dimethyl-3-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)propan-1-amine
CID 56754685
N,N-diethyl-2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethanamine
CID 56758299
2'-ethyl-5'-methyl-1-(tetrahydro-2H-pyran-2-ylmethyl)-1H,3'H-2,4'-biimidazole
CID 56868611
1-[3-(1H,1'H-2,4'-biimidazol-1-yl)propyl]piperidin-4-ol
CID 56869519
1-(2-methoxyethyl)-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56873208
3-[2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethyl]-1,3-oxazinan-2-one
CID 56894736
2'-butyl-1-pyrrolidin-3-yl-1H,1'H-2,4'-biimidazole
CID 70717171
5'-methyl-1-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-1H,3'H-2,4'-biimidazole
CID 70777526
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 50984119
5'-methyl-1-(2,2,2-trifluoroethyl)-1H,3'H-2,4'-biimidazole
CID 56916971

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole?
The IUPAC name of 2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole (CID 56742976) is 2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole.
What is the SMILES notation for 2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole?
The canonical SMILES for 2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole is CCCCc1ncc(-c2nccn2CCCOC)[nH]1.
What is the InChIKey of 2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole?
The InChIKey is MQGZSKKAYIUFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-4-6-13-16-11-12(17-13)14-15-7-9-18(14)8-5-10-19-2/h7,9,11H,3-6,8,10H2,1-2H3,(H,16,17).
What are the key properties of 2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole?
2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole has a molecular weight of 262.36 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[1-(3-methoxypropyl)imidazol-2-yl]-1H-imidazole is sourced from PubChem (CID 56742976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).