1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide

C18H19N3O2 — CID 3235725

IUPAC1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1OC
InChIInChI=1S/C18H19N3O2/c1-3-10-19-18(22)13-8-9-15-14(11-13)20-12-21(15)16-6-4-5-7-17(16)23-2/h4-9,11-12H,3,10H2,1-2H3,(H,19,22)
InChIKeyIPQVYLJBDWOFAJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.17
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide

1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide (PubChem CID 3235725) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide
PubChem CID3235725
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1OC
InChIInChI=1S/C18H19N3O2/c1-3-10-19-18(22)13-8-9-15-14(11-13)20-12-21(15)16-6-4-5-7-17(16)23-2/h4-9,11-12H,3,10H2,1-2H3,(H,19,22)
InChIKeyIPQVYLJBDWOFAJ-UHFFFAOYSA-N
XLogP3.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide (CID 3235725) is 1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide is CCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide?
The InChIKey is IPQVYLJBDWOFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-10-19-18(22)13-8-9-15-14(11-13)20-12-21(15)16-6-4-5-7-17(16)23-2/h4-9,11-12H,3,10H2,1-2H3,(H,19,22).
What are the key properties of 1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide?
1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 3235725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).