5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole

C19H23ClN4O — CID 175814014

IUPAC5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole
SMILESCc1nc2c(OC(C)(C)C)c(-c3ccnc(Cl)n3)ccc2n1C(C)C
InChIInChI=1S/C19H23ClN4O/c1-11(2)24-12(3)22-16-15(24)8-7-13(17(16)25-19(4,5)6)14-9-10-21-18(20)23-14/h7-11H,1-6H3
InChIKeyZHOFGSAYMGFANS-UHFFFAOYSA-N
MW358.87 g/mol
LogP5.21
Rot. Bonds3

About 5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole

5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole (PubChem CID 175814014) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole
PubChem CID175814014
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole
SMILESCc1nc2c(OC(C)(C)C)c(-c3ccnc(Cl)n3)ccc2n1C(C)C
InChIInChI=1S/C19H23ClN4O/c1-11(2)24-12(3)22-16-15(24)8-7-13(17(16)25-19(4,5)6)14-9-10-21-18(20)23-14/h7-11H,1-6H3
InChIKeyZHOFGSAYMGFANS-UHFFFAOYSA-N
XLogP5.21
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.87
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
CID 42632600
4-chloro-2-methyl-1-propan-2-ylbenzimidazole
CID 83449668
tert-butyl 3-(2-chloropyrimidin-4-yl)indole-1-carboxylate
CID 156694217
2-chloro-4-(2,4-dichlorophenyl)pyrimidine
CID 11086481
6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole
CID 138622320
2-chloro-4-(3-fluoro-2-methoxyphenyl)pyrimidine
CID 24901962
6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole
CID 138622361
3-(2-chloropyrimidin-4-yl)-5-fluoroindole-1-carboxylic acid
CID 87689952
tert-butyl 2-(2-chloropyrimidin-4-yl)-6-methylindole-1-carboxylate
CID 24901814
4-chloro-2-(2-chloropyrimidin-4-yl)phenol
CID 135743684
2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 24901904
tert-butyl 2-(2-chloropyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate
CID 66523378

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole?
The IUPAC name of 5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole (CID 175814014) is 5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole?
The canonical SMILES for 5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole is Cc1nc2c(OC(C)(C)C)c(-c3ccnc(Cl)n3)ccc2n1C(C)C.
What is the InChIKey of 5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole?
The InChIKey is ZHOFGSAYMGFANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-11(2)24-12(3)22-16-15(24)8-7-13(17(16)25-19(4,5)6)14-9-10-21-18(20)23-14/h7-11H,1-6H3.
What are the key properties of 5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole?
5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole has a molecular weight of 358.87 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyrimidin-4-yl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 175814014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).