N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide

C23H20ClN3O2 — CID 4278606

IUPACN-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide
SMILESCCOc1ccccc1-n1cnc2cc(C(=O)NCc3ccccc3Cl)ccc21
InChIInChI=1S/C23H20ClN3O2/c1-2-29-22-10-6-5-9-21(22)27-15-26-19-13-16(11-12-20(19)27)23(28)25-14-17-7-3-4-8-18(17)24/h3-13,15H,2,14H2,1H3,(H,25,28)
InChIKeyKYLWDPSAWCIPPK-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.01
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide

N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide (PubChem CID 4278606) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide
PubChem CID4278606
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide
SMILESCCOc1ccccc1-n1cnc2cc(C(=O)NCc3ccccc3Cl)ccc21
InChIInChI=1S/C23H20ClN3O2/c1-2-29-22-10-6-5-9-21(22)27-15-26-19-13-16(11-12-20(19)27)23(28)25-14-17-7-3-4-8-18(17)24/h3-13,15H,2,14H2,1H3,(H,25,28)
InChIKeyKYLWDPSAWCIPPK-UHFFFAOYSA-N
XLogP5.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide (CID 4278606) is N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide is CCOc1ccccc1-n1cnc2cc(C(=O)NCc3ccccc3Cl)ccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide?
The InChIKey is KYLWDPSAWCIPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-2-29-22-10-6-5-9-21(22)27-15-26-19-13-16(11-12-20(19)27)23(28)25-14-17-7-3-4-8-18(17)24/h3-13,15H,2,14H2,1H3,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4278606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).