N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide

C18H20FN5O2 — CID 155137892

IUPACN-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide
SMILESCOc1ncnc(Cn2cnc3c(C(=O)NCCF)cc(C)cc32)c1C
InChIInChI=1S/C18H20FN5O2/c1-11-6-13(17(25)20-5-4-19)16-15(7-11)24(10-23-16)8-14-12(2)18(26-3)22-9-21-14/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,25)
InChIKeyGDZUTXMICYGGFM-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.20
Rot. Bonds6

About N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide

N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide (PubChem CID 155137892) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide
PubChem CID155137892
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC NameN-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide
SMILESCOc1ncnc(Cn2cnc3c(C(=O)NCCF)cc(C)cc32)c1C
InChIInChI=1S/C18H20FN5O2/c1-11-6-13(17(25)20-5-4-19)16-15(7-11)24(10-23-16)8-14-12(2)18(26-3)22-9-21-14/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,25)
InChIKeyGDZUTXMICYGGFM-UHFFFAOYSA-N
XLogP2.20
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide (CID 155137892) is N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide is COc1ncnc(Cn2cnc3c(C(=O)NCCF)cc(C)cc32)c1C.
What is the InChIKey of N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide?
The InChIKey is GDZUTXMICYGGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-11-6-13(17(25)20-5-4-19)16-15(7-11)24(10-23-16)8-14-12(2)18(26-3)22-9-21-14/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,25).
What are the key properties of N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide?
N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 155137892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).