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

C26H30ClN7O — CID 18384843

IUPAC4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1c(Cl)n(C2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C26H30ClN7O/c1-2-3-13-23-24(27)34(20-9-5-4-6-10-20)26(35)33(23)17-19-15-14-18(16-28-19)21-11-7-8-12-22(21)25-29-31-32-30-25/h7-8,11-12,14-16,20H,2-6,9-10,13,17H2,1H3,(H,29,30,31,32)
InChIKeyNKMFIZSQABCFEL-UHFFFAOYSA-N
MW492.03 g/mol
LogP5.44
Rot. Bonds8

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

4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (PubChem CID 18384843) has the molecular formula C26H30ClN7O and a molecular weight of 492.03 g/mol. Its IUPAC name is 4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
PubChem CID18384843
Molecular FormulaC26H30ClN7O
Molecular Weight492.03 g/mol
Exact Mass491.22
IUPAC Name4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1c(Cl)n(C2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C26H30ClN7O/c1-2-3-13-23-24(27)34(20-9-5-4-6-10-20)26(35)33(23)17-19-15-14-18(16-28-19)21-11-7-8-12-22(21)25-29-31-32-30-25/h7-8,11-12,14-16,20H,2-6,9-10,13,17H2,1H3,(H,29,30,31,32)
InChIKeyNKMFIZSQABCFEL-UHFFFAOYSA-N
XLogP5.44
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.03
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 10184295
1-(cyclohexylmethyl)-5-methyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384807
4-butyl-1-[2,6-di(propan-2-yl)cyclohexyl]-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54192965
4-butyl-1-(2-methoxycyclooctyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54011977
1-benzyl-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 10183375
4-butyl-1-(2-tert-butylcyclobutyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54229068
1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384778
4-butyl-1-(cyclohexanecarbonyl)-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741581
4-butyl-1-(cyclohexanecarbonyl)-5-(fluoromethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740453
4-butyl-1-(cyclohexylmethyl)-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741583
4-butyl-1-(2-cyclohexylacetyl)-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740016
4-butyl-1-(2-oxo-3-propan-2-ylcyclopropyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54407073

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (CID 18384843) is 4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is CCCCc1c(Cl)n(C2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1.
What is the InChIKey of 4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The InChIKey is NKMFIZSQABCFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN7O/c1-2-3-13-23-24(27)34(20-9-5-4-6-10-20)26(35)33(23)17-19-15-14-18(16-28-19)21-11-7-8-12-22(21)25-29-31-32-30-25/h7-8,11-12,14-16,20H,2-6,9-10,13,17H2,1H3,(H,29,30,31,32).
What are the key properties of 4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
4-butyl-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one has a molecular weight of 492.03 g/mol, XLogP of 5.44, 8 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-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).