1-butyl-2-pyrrol-1-ylimidazole

C11H15N3 — CID 174873943

IUPAC1-butyl-2-pyrrol-1-ylimidazole
SMILESCCCCn1ccnc1-n1cccc1
InChIInChI=1S/C11H15N3/c1-2-3-7-14-10-6-12-11(14)13-8-4-5-9-13/h4-6,8-10H,2-3,7H2,1H3
InChIKeyNHMGNVURSOBNMF-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.47
Rot. Bonds4

About 1-butyl-2-pyrrol-1-ylimidazole

1-butyl-2-pyrrol-1-ylimidazole (PubChem CID 174873943) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-butyl-2-pyrrol-1-ylimidazole.

Molecular Properties

Compound Name1-butyl-2-pyrrol-1-ylimidazole
PubChem CID174873943
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-butyl-2-pyrrol-1-ylimidazole
SMILESCCCCn1ccnc1-n1cccc1
InChIInChI=1S/C11H15N3/c1-2-3-7-14-10-6-12-11(14)13-8-4-5-9-13/h4-6,8-10H,2-3,7H2,1H3
InChIKeyNHMGNVURSOBNMF-UHFFFAOYSA-N
XLogP2.47
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-2-iodoimidazole
CID 69317070
1-butylimidazol-2-amine
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1,2-di(pentadecyl)imidazole
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5-(1-butylimidazol-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106552991
1-butyl-2-propan-2-ylimidazole
CID 11506521
(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine
CID 106553921
3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine
CID 140833527
1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568584
1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum
CID 174536207
1-pentylimidazol-2-amine
CID 61354351
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-pyrrol-1-ylimidazole?
The IUPAC name of 1-butyl-2-pyrrol-1-ylimidazole (CID 174873943) is 1-butyl-2-pyrrol-1-ylimidazole.
What is the SMILES notation for 1-butyl-2-pyrrol-1-ylimidazole?
The canonical SMILES for 1-butyl-2-pyrrol-1-ylimidazole is CCCCn1ccnc1-n1cccc1.
What is the InChIKey of 1-butyl-2-pyrrol-1-ylimidazole?
The InChIKey is NHMGNVURSOBNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-3-7-14-10-6-12-11(14)13-8-4-5-9-13/h4-6,8-10H,2-3,7H2,1H3.
What are the key properties of 1-butyl-2-pyrrol-1-ylimidazole?
1-butyl-2-pyrrol-1-ylimidazole has a molecular weight of 189.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-pyrrol-1-ylimidazole is sourced from PubChem (CID 174873943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).