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

C25H25ClN8O — CID 19383626

IUPAC4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(-c2c(Cl)ccn2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C25H25ClN8O/c1-3-4-7-18-16-34(24-21(26)12-13-32(24)2)25(35)33(18)15-17-10-11-22(27-14-17)19-8-5-6-9-20(19)23-28-30-31-29-23/h5-6,8-14,16H,3-4,7,15H2,1-2H3,(H,28,29,30,31)
InChIKeyJSNILMLXZBUEHF-UHFFFAOYSA-N
MW488.98 g/mol
LogP4.26
Rot. Bonds8

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

4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 19383626) has the molecular formula C25H25ClN8O and a molecular weight of 488.98 g/mol. Its IUPAC name is 4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
PubChem CID19383626
Molecular FormulaC25H25ClN8O
Molecular Weight488.98 g/mol
Exact Mass488.18
IUPAC Name4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(-c2c(Cl)ccn2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C25H25ClN8O/c1-3-4-7-18-16-34(24-21(26)12-13-32(24)2)25(35)33(18)15-17-10-11-22(27-14-17)19-8-5-6-9-20(19)23-28-30-31-29-23/h5-6,8-14,16H,3-4,7,15H2,1-2H3,(H,28,29,30,31)
InChIKeyJSNILMLXZBUEHF-UHFFFAOYSA-N
XLogP4.26
TPSA99.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-butyl-1-(3-chloro-1-propan-2-ylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383726
2-[4-butyl-2-oxo-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrrole-3-carboxylic acid
CID 19384128
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
4-butyl-1-(2-chloro-6-propylphenyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54490228
4-butyl-1-(1-ethylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 15293155
4-butyl-1-[1-ethyl-3-(trifluoromethyl)pyrrol-2-yl]-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383410
1-(3-acetyl-1-propan-2-ylpyrrol-2-yl)-4-butyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383715
2-[4-butyl-2-oxo-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-propan-2-ylpyrrole-3-carbaldehyde
CID 19383648
4-butyl-1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19384050
4-butyl-1-(2-tert-butyl-6-methylphenyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54458184
methyl 5-[4-butyl-2-oxo-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-ethylpyrazole-4-carboxylate
CID 19383998
methyl 5-[4-butyl-2-oxo-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-propan-2-ylpyrazole-4-carboxylate
CID 67797648

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 19383626) is 4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCCc1cn(-c2c(Cl)ccn2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.
What is the InChIKey of 4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The InChIKey is JSNILMLXZBUEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN8O/c1-3-4-7-18-16-34(24-21(26)12-13-32(24)2)25(35)33(18)15-17-10-11-22(27-14-17)19-8-5-6-9-20(19)23-28-30-31-29-23/h5-6,8-14,16H,3-4,7,15H2,1-2H3,(H,28,29,30,31).
What are the key properties of 4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 488.98 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(3-chloro-1-methylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 19383626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).