ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate

C14H18N2O2 — CID 55189984

IUPACethyl 5-methyl-1-propylbenzimidazole-2-carboxylate
SMILESCCCn1c(C(=O)OCC)nc2cc(C)ccc21
InChIInChI=1S/C14H18N2O2/c1-4-8-16-12-7-6-10(3)9-11(12)15-13(16)14(17)18-5-2/h6-7,9H,4-5,8H2,1-3H3
InChIKeyLRTVIGGWHNPGQV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.93
Rot. Bonds4

About ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate

ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate (PubChem CID 55189984) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-propylbenzimidazole-2-carboxylate
PubChem CID55189984
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nameethyl 5-methyl-1-propylbenzimidazole-2-carboxylate
SMILESCCCn1c(C(=O)OCC)nc2cc(C)ccc21
InChIInChI=1S/C14H18N2O2/c1-4-8-16-12-7-6-10(3)9-11(12)15-13(16)14(17)18-5-2/h6-7,9H,4-5,8H2,1-3H3
InChIKeyLRTVIGGWHNPGQV-UHFFFAOYSA-N
XLogP2.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate?
The IUPAC name of ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate (CID 55189984) is ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate is CCCn1c(C(=O)OCC)nc2cc(C)ccc21.
What is the InChIKey of ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate?
The InChIKey is LRTVIGGWHNPGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-8-16-12-7-6-10(3)9-11(12)15-13(16)14(17)18-5-2/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate?
ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate is sourced from PubChem (CID 55189984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).