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

C22H24ClN7O — CID 54255568

IUPAC5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCc1c(Cl)n(C(C)C)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H24ClN7O/c1-4-6-18-20(23)30(14(2)3)22(31)29(18)13-15-8-10-16(11-9-15)19-17(7-5-12-24-19)21-25-27-28-26-21/h5,7-12,14H,4,6,13H2,1-3H3,(H,25,26,27,28)
InChIKeyQZURBLQNAWIBDQ-UHFFFAOYSA-N
MW437.94 g/mol
LogP4.13
Rot. Bonds7

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

5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 54255568) has the molecular formula C22H24ClN7O and a molecular weight of 437.94 g/mol. Its IUPAC name is 5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
PubChem CID54255568
Molecular FormulaC22H24ClN7O
Molecular Weight437.94 g/mol
Exact Mass437.17
IUPAC Name5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCc1c(Cl)n(C(C)C)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H24ClN7O/c1-4-6-18-20(23)30(14(2)3)22(31)29(18)13-15-8-10-16(11-9-15)19-17(7-5-12-24-19)21-25-27-28-26-21/h5,7-12,14H,4,6,13H2,1-3H3,(H,25,26,27,28)
InChIKeyQZURBLQNAWIBDQ-UHFFFAOYSA-N
XLogP4.13
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.94
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-chloro-1-phenyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384341
5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384354
5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384258
5-chloro-4-pentyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384404
1-butyl-5-chloro-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384510
1-(2-methylpropyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384240
5-chloro-1-phenyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384915
4-pentyl-1-propan-2-yl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384412
4-butyl-5-methyl-1-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384878
5-methyl-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384333
1-methyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384633

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (CID 54255568) is 5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is CCCc1c(Cl)n(C(C)C)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The InChIKey is QZURBLQNAWIBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O/c1-4-6-18-20(23)30(14(2)3)22(31)29(18)13-15-8-10-16(11-9-15)19-17(7-5-12-24-19)21-25-27-28-26-21/h5,7-12,14H,4,6,13H2,1-3H3,(H,25,26,27,28).
What are the key properties of 5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 437.94 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propan-2-yl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 54255568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).