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

C24H29N7O — CID 18384324

IUPAC1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCCc1cn(CCCC)c(=O)n1Cc1ccc(-c2cnccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H29N7O/c1-3-5-7-20-17-30(14-6-4-2)24(32)31(20)16-18-8-10-19(11-9-18)22-15-25-13-12-21(22)23-26-28-29-27-23/h8-13,15,17H,3-7,14,16H2,1-2H3,(H,26,27,28,29)
InChIKeyJNAZCCIPHWNIHQ-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.08
Rot. Bonds10

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

1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384324) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
PubChem CID18384324
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCCc1cn(CCCC)c(=O)n1Cc1ccc(-c2cnccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H29N7O/c1-3-5-7-20-17-30(14-6-4-2)24(32)31(20)16-18-8-10-19(11-9-18)22-15-25-13-12-21(22)23-26-28-29-27-23/h8-13,15,17H,3-7,14,16H2,1-2H3,(H,26,27,28,29)
InChIKeyJNAZCCIPHWNIHQ-UHFFFAOYSA-N
XLogP4.08
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-pentyl-1-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384550
4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384327
4-butyl-1-phenyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384701
4-butyl-1-(2-iodophenyl)-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 67839197
4-butyl-1-(2-ethylphenyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 70277185
1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384303
1-(2-ethylphenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54351824
4-butyl-1-(3-methylbutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 10275385
1-butyl-5-chloro-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384137
4-pentyl-1-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384899
1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54476699
4-butyl-5-methyl-1-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384110

Frequently Asked Questions

What is the IUPAC name of 1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384324) is 1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one is CCCCc1cn(CCCC)c(=O)n1Cc1ccc(-c2cnccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
The InChIKey is JNAZCCIPHWNIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-3-5-7-20-17-30(14-6-4-2)24(32)31(20)16-18-8-10-19(11-9-18)22-15-25-13-12-21(22)23-26-28-29-27-23/h8-13,15,17H,3-7,14,16H2,1-2H3,(H,26,27,28,29).
What are the key properties of 1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?
1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 431.54 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).