N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide

C17H17N3O — CID 110692625

IUPACN-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)ncn2C)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-3-20(14-7-5-4-6-8-14)17(21)13-9-10-16-15(11-13)18-12-19(16)2/h4-12H,3H2,1-2H3
InChIKeyMYARVUMKKFTWKM-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.24
Rot. Bonds3

About N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide

N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide (PubChem CID 110692625) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide
PubChem CID110692625
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)ncn2C)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-3-20(14-7-5-4-6-8-14)17(21)13-9-10-16-15(11-13)18-12-19(16)2/h4-12H,3H2,1-2H3
InChIKeyMYARVUMKKFTWKM-UHFFFAOYSA-N
XLogP3.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide (CID 110692625) is N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide is CCN(C(=O)c1ccc2c(c1)ncn2C)c1ccccc1.
What is the InChIKey of N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide?
The InChIKey is MYARVUMKKFTWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-20(14-7-5-4-6-8-14)17(21)13-9-10-16-15(11-13)18-12-19(16)2/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide?
N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110692625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).