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

C25H30ClN7O — CID 18384245

IUPAC4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCCc1c(Cl)n(CCC(C)C)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H30ClN7O/c1-4-5-8-21-23(26)32(15-13-17(2)3)25(34)33(21)16-18-9-11-19(12-10-18)20-7-6-14-27-22(20)24-28-30-31-29-24/h6-7,9-12,14,17H,4-5,8,13,15-16H2,1-3H3,(H,28,29,30,31)
InChIKeyMRDZTCZWYYQGDY-UHFFFAOYSA-N
MW480.02 g/mol
LogP4.98
Rot. Bonds10

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

4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384245) has the molecular formula C25H30ClN7O and a molecular weight of 480.02 g/mol. Its IUPAC name is 4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
PubChem CID18384245
Molecular FormulaC25H30ClN7O
Molecular Weight480.02 g/mol
Exact Mass479.22
IUPAC Name4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCCc1c(Cl)n(CCC(C)C)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H30ClN7O/c1-4-5-8-21-23(26)32(15-13-17(2)3)25(34)33(21)16-18-9-11-19(12-10-18)20-7-6-14-27-22(20)24-28-30-31-29-24/h6-7,9-12,14,17H,4-5,8,13,15-16H2,1-3H3,(H,28,29,30,31)
InChIKeyMRDZTCZWYYQGDY-UHFFFAOYSA-N
XLogP4.98
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.02
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1,4-dibutyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384777
1-butyl-5-chloro-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384510
5-chloro-1-(2-cyclohexylethyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384198
5-chloro-1-propan-2-yl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384628
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-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-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384626
5-chloro-4-(3-methylbutyl)-1-(2-phenylethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740813
4-butyl-5-chloro-1-phenyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384341
4-butyl-5-methyl-1-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384878

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384245) is 4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one is CCCCc1c(Cl)n(CCC(C)C)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
The InChIKey is MRDZTCZWYYQGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN7O/c1-4-5-8-21-23(26)32(15-13-17(2)3)25(34)33(21)16-18-9-11-19(12-10-18)20-7-6-14-27-22(20)24-28-30-31-29-24/h6-7,9-12,14,17H,4-5,8,13,15-16H2,1-3H3,(H,28,29,30,31).
What are the key properties of 4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 480.02 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-chloro-1-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).