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

C23H27N7O — CID 18384333

IUPAC5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCc1c(C)n(C(C)C)c(=O)n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H27N7O/c1-5-6-21-16(4)30(15(2)3)23(31)29(21)14-17-7-9-18(10-8-17)19-11-12-24-13-20(19)22-25-27-28-26-22/h7-13,15H,5-6,14H2,1-4H3,(H,25,26,27,28)
InChIKeyMDVKLTZFMMDYFF-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.78
Rot. Bonds7

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

5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384333) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
PubChem CID18384333
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCc1c(C)n(C(C)C)c(=O)n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H27N7O/c1-5-6-21-16(4)30(15(2)3)23(31)29(21)14-17-7-9-18(10-8-17)19-11-12-24-13-20(19)22-25-27-28-26-22/h7-13,15H,5-6,14H2,1-4H3,(H,25,26,27,28)
InChIKeyMDVKLTZFMMDYFF-UHFFFAOYSA-N
XLogP3.78
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-4-pentyl-1-propan-2-yl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384562
4-butyl-5-methyl-1-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384110
1-butyl-5-chloro-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384137
5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384286
1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384303
1-tert-butyl-5-methyl-4-pentyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384706
5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54255568
5-chloro-1-propan-2-yl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384628
4-butyl-5-fluoro-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741476
1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54476699
4-pentyl-1-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384550
5-(fluoromethyl)-4-(3-methylbutyl)-1-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741266

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384333) is 5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one is CCCc1c(C)n(C(C)C)c(=O)n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one?
The InChIKey is MDVKLTZFMMDYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-5-6-21-16(4)30(15(2)3)23(31)29(21)14-17-7-9-18(10-8-17)19-11-12-24-13-20(19)22-25-27-28-26-22/h7-13,15H,5-6,14H2,1-4H3,(H,25,26,27,28).
What are the key properties of 5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one?
5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 417.52 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).