carbonic acid;1-(3-methylpentyl)imidazole

C10H18N2O3 — CID 175400753

IUPACcarbonic acid;1-(3-methylpentyl)imidazole
SMILESCCC(C)CCn1ccnc1.O=C(O)O
InChIInChI=1S/C9H16N2.CH2O3/c1-3-9(2)4-6-11-7-5-10-8-11;2-1(3)4/h5,7-9H,3-4,6H2,1-2H3;(H2,2,3,4)
InChIKeyPQJAMMIIUWXDNV-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.54
Rot. Bonds4

About carbonic acid;1-(3-methylpentyl)imidazole

carbonic acid;1-(3-methylpentyl)imidazole (PubChem CID 175400753) has the molecular formula C10H18N2O3 and a molecular weight of 214.27 g/mol. Its IUPAC name is carbonic acid;1-(3-methylpentyl)imidazole.

Molecular Properties

Compound Namecarbonic acid;1-(3-methylpentyl)imidazole
PubChem CID175400753
Molecular FormulaC10H18N2O3
Molecular Weight214.27 g/mol
Exact Mass214.13
IUPAC Namecarbonic acid;1-(3-methylpentyl)imidazole
SMILESCCC(C)CCn1ccnc1.O=C(O)O
InChIInChI=1S/C9H16N2.CH2O3/c1-3-9(2)4-6-11-7-5-10-8-11;2-1(3)4/h5,7-9H,3-4,6H2,1-2H3;(H2,2,3,4)
InChIKeyPQJAMMIIUWXDNV-UHFFFAOYSA-N
XLogP2.54
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,6-dimethylheptyl)imidazole
CID 143241697
carbonic acid;1-dodecylimidazole
CID 175596781
1-(2-methylbutyl)imidazole
CID 59161437
(3S)-8-imidazol-1-yl-3-methyloctanoic acid;hydrochloride
CID 70550250
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
6-imidazol-1-ylhexan-3-ol
CID 106802503
acetic acid;1-decylimidazole
CID 175546754
methyl 2-amino-4-imidazol-1-ylbutanoate
CID 63041628
1-(7-methyloctyl)imidazole
CID 59001100
6-imidazol-1-yl-3-methylhexan-1-ol
CID 144712002
3-[ethyl(2-imidazol-1-ylethyl)amino]-2-methylpropanoic acid
CID 62852980
ethyl (2S)-8-imidazol-1-yl-2-methyloctanoate
CID 70551374

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-(3-methylpentyl)imidazole?
The IUPAC name of carbonic acid;1-(3-methylpentyl)imidazole (CID 175400753) is carbonic acid;1-(3-methylpentyl)imidazole.
What is the SMILES notation for carbonic acid;1-(3-methylpentyl)imidazole?
The canonical SMILES for carbonic acid;1-(3-methylpentyl)imidazole is CCC(C)CCn1ccnc1.O=C(O)O.
What is the InChIKey of carbonic acid;1-(3-methylpentyl)imidazole?
The InChIKey is PQJAMMIIUWXDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.CH2O3/c1-3-9(2)4-6-11-7-5-10-8-11;2-1(3)4/h5,7-9H,3-4,6H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-(3-methylpentyl)imidazole?
carbonic acid;1-(3-methylpentyl)imidazole has a molecular weight of 214.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-(3-methylpentyl)imidazole is sourced from PubChem (CID 175400753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).