2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide

C28H24N4O — CID 18680974

IUPAC2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3cccnc3)cc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H24N4O/c1-2-27-31-25-15-14-23(28(33)30-24-9-6-16-29-18-24)17-26(25)32(27)19-20-10-12-22(13-11-20)21-7-4-3-5-8-21/h3-18H,2,19H2,1H3,(H,30,33)
InChIKeyQUOGXQVHJOXIEE-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.96
Rot. Bonds6

About 2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide

2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide (PubChem CID 18680974) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide
PubChem CID18680974
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3cccnc3)cc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H24N4O/c1-2-27-31-25-15-14-23(28(33)30-24-9-6-16-29-18-24)17-26(25)32(27)19-20-10-12-22(13-11-20)21-7-4-3-5-8-21/h3-18H,2,19H2,1H3,(H,30,33)
InChIKeyQUOGXQVHJOXIEE-UHFFFAOYSA-N
XLogP5.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-chloro-2-ethyl-3-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;hydrochloride
CID 18680864
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39669326
3-[6-(pyridin-3-ylcarbamoyl)-2-(trimethoxymethyl)benzimidazol-1-yl]propylcarbamic acid
CID 67238451
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
3-[(2-chlorophenyl)methyl]-2-propyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 54266313
4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide
CID 122500865
1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide
CID 110501801
N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964435
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide
CID 43921733

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide?
The IUPAC name of 2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide (CID 18680974) is 2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide is CCc1nc2ccc(C(=O)Nc3cccnc3)cc2n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide?
The InChIKey is QUOGXQVHJOXIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c1-2-27-31-25-15-14-23(28(33)30-24-9-6-16-29-18-24)17-26(25)32(27)19-20-10-12-22(13-11-20)21-7-4-3-5-8-21/h3-18H,2,19H2,1H3,(H,30,33).
What are the key properties of 2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide?
2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(4-phenylphenyl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 18680974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).