1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one

C24H28ClN7O — CID 18384777

IUPAC1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCCc1c(Cl)n(CCCC)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H28ClN7O/c1-3-5-9-20-22(25)31(15-6-4-2)24(33)32(20)16-17-10-12-18(13-11-17)19-8-7-14-26-21(19)23-27-29-30-28-23/h7-8,10-14H,3-6,9,15-16H2,1-2H3,(H,27,28,29,30)
InChIKeyLGLIHESWLVZGQT-UHFFFAOYSA-N
MW465.99 g/mol
LogP4.74
Rot. Bonds10

About 1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one

1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384777) has the molecular formula C24H28ClN7O and a molecular weight of 465.99 g/mol. Its IUPAC name is 1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
PubChem CID18384777
Molecular FormulaC24H28ClN7O
Molecular Weight465.99 g/mol
Exact Mass465.20
IUPAC Name1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCCc1c(Cl)n(CCCC)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H28ClN7O/c1-3-5-9-20-22(25)31(15-6-4-2)24(33)32(20)16-17-10-12-18(13-11-17)19-8-7-14-26-21(19)23-27-29-30-28-23/h7-8,10-14H,3-6,9,15-16H2,1-2H3,(H,27,28,29,30)
InChIKeyLGLIHESWLVZGQT-UHFFFAOYSA-N
XLogP4.74
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one with MolForge

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Related Compounds

1-butyl-5-chloro-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384510
4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384245
5-chloro-1-(2-cyclohexylethyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384198
1-ethyl-5-methyl-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384391
5-chloro-4-pentyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384404
5-chloro-1-propan-2-yl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384628
5-methyl-1,4-dipropyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384558
5-chloro-1-phenyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384915
4-butyl-5-methyl-1-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384878
1-butyl-5-chloro-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384137
4-butyl-5-chloro-1-phenyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384341
4-pentyl-1-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384899

Frequently Asked Questions

What is the IUPAC name of 1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384777) is 1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one is CCCCc1c(Cl)n(CCCC)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1.
What is the InChIKey of 1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
The InChIKey is LGLIHESWLVZGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN7O/c1-3-5-9-20-22(25)31(15-6-4-2)24(33)32(20)16-17-10-12-18(13-11-17)19-8-7-14-26-21(19)23-27-29-30-28-23/h7-8,10-14H,3-6,9,15-16H2,1-2H3,(H,27,28,29,30).
What are the key properties of 1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 465.99 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).