N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide

C24H23N3O — CID 170699029

IUPACN,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide
SMILESCCc1cccc(N(C(=O)n2cnc3ccccc32)c2cccc(CC)c2)c1
InChIInChI=1S/C24H23N3O/c1-3-18-9-7-11-20(15-18)27(21-12-8-10-19(4-2)16-21)24(28)26-17-25-22-13-5-6-14-23(22)26/h5-17H,3-4H2,1-2H3
InChIKeyXCEBQUUPPCQYMY-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.97
Rot. Bonds4

About N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide

N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide (PubChem CID 170699029) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide
PubChem CID170699029
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide
SMILESCCc1cccc(N(C(=O)n2cnc3ccccc32)c2cccc(CC)c2)c1
InChIInChI=1S/C24H23N3O/c1-3-18-9-7-11-20(15-18)27(21-12-8-10-19(4-2)16-21)24(28)26-17-25-22-13-5-6-14-23(22)26/h5-17H,3-4H2,1-2H3
InChIKeyXCEBQUUPPCQYMY-UHFFFAOYSA-N
XLogP5.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide?
The IUPAC name of N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide (CID 170699029) is N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide.
What is the SMILES notation for N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide?
The canonical SMILES for N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide is CCc1cccc(N(C(=O)n2cnc3ccccc32)c2cccc(CC)c2)c1.
What is the InChIKey of N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide?
The InChIKey is XCEBQUUPPCQYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-3-18-9-7-11-20(15-18)27(21-12-8-10-19(4-2)16-21)24(28)26-17-25-22-13-5-6-14-23(22)26/h5-17H,3-4H2,1-2H3.
What are the key properties of N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide?
N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide is sourced from PubChem (CID 170699029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).