2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole

C14H21ClN4O — CID 95552508

IUPAC2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole
SMILESCCCCc1nc(-c2nccn2[C@@H](C)COC)c(Cl)[nH]1
InChIInChI=1S/C14H21ClN4O/c1-4-5-6-11-17-12(13(15)18-11)14-16-7-8-19(14)10(2)9-20-3/h7-8,10H,4-6,9H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeyJQIKEYALAHCJQF-JTQLQIEISA-N
MW296.80 g/mol
LogP3.48
Rot. Bonds7

About 2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole

2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole (PubChem CID 95552508) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole
PubChem CID95552508
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole
SMILESCCCCc1nc(-c2nccn2[C@@H](C)COC)c(Cl)[nH]1
InChIInChI=1S/C14H21ClN4O/c1-4-5-6-11-17-12(13(15)18-11)14-16-7-8-19(14)10(2)9-20-3/h7-8,10H,4-6,9H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeyJQIKEYALAHCJQF-JTQLQIEISA-N
XLogP3.48
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole?
The IUPAC name of 2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole (CID 95552508) is 2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole.
What is the SMILES notation for 2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole?
The canonical SMILES for 2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole is CCCCc1nc(-c2nccn2[C@@H](C)COC)c(Cl)[nH]1.
What is the InChIKey of 2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole?
The InChIKey is JQIKEYALAHCJQF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-4-5-6-11-17-12(13(15)18-11)14-16-7-8-19(14)10(2)9-20-3/h7-8,10H,4-6,9H2,1-3H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole?
2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole has a molecular weight of 296.80 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-chloro-4-[1-[(2S)-1-methoxypropan-2-yl]imidazol-2-yl]-1H-imidazole is sourced from PubChem (CID 95552508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).