4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one

C23H27N7O — CID 67833986

IUPAC4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
SMILESCCCCc1c(C(C)C)[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C23H27N7O/c1-4-5-10-20-21(15(2)3)25-23(31)30(20)14-16-11-12-19(24-13-16)17-8-6-7-9-18(17)22-26-28-29-27-22/h6-9,11-13,15H,4-5,10,14H2,1-3H3,(H,25,31)(H,26,27,28,29)
InChIKeyOMNFSRFWQMUZJD-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.93
Rot. Bonds8

About 4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one

4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one (PubChem CID 67833986) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
PubChem CID67833986
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
SMILESCCCCc1c(C(C)C)[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C23H27N7O/c1-4-5-10-20-21(15(2)3)25-23(31)30(20)14-16-11-12-19(24-13-16)17-8-6-7-9-18(17)22-26-28-29-27-22/h6-9,11-13,15H,4-5,10,14H2,1-3H3,(H,25,31)(H,26,27,28,29)
InChIKeyOMNFSRFWQMUZJD-UHFFFAOYSA-N
XLogP3.93
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one with MolForge

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Related Compounds

4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
CID 70340304
4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
CID 67833969
5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
CID 70339829
1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384577
1-benzyl-5-methyl-4-pentyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384856
5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384286
5-chloro-1-phenyl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384576
4-butyl-1-(2-hydroxycyclopropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681560
4-butyl-1-(3-propan-2-yl-1-propylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383672
5-[(3-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976461
5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane
CID 143417079
4-butyl-1-(1-ethylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 15293155

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
The IUPAC name of 4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one (CID 67833986) is 4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one.
What is the SMILES notation for 4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
The canonical SMILES for 4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one is CCCCc1c(C(C)C)[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.
What is the InChIKey of 4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
The InChIKey is OMNFSRFWQMUZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-4-5-10-20-21(15(2)3)25-23(31)30(20)14-16-11-12-19(24-13-16)17-8-6-7-9-18(17)22-26-28-29-27-22/h6-9,11-13,15H,4-5,10,14H2,1-3H3,(H,25,31)(H,26,27,28,29).
What are the key properties of 4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one has a molecular weight of 417.52 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one is sourced from PubChem (CID 67833986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).