N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide

C25H25N3O2 — CID 17093013

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H25N3O2/c1-25(2,3)18-12-9-16(10-13-18)24(29)28-21-15-17(11-14-22(21)30-4)23-26-19-7-5-6-8-20(19)27-23/h5-15H,1-4H3,(H,26,27)(H,28,29)
InChIKeyWQUXGVITBLQVEH-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.79
Rot. Bonds4

About N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide

N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide (PubChem CID 17093013) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
PubChem CID17093013
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H25N3O2/c1-25(2,3)18-12-9-16(10-13-18)24(29)28-21-15-17(11-14-22(21)30-4)23-26-19-7-5-6-8-20(19)27-23/h5-15H,1-4H3,(H,26,27)(H,28,29)
InChIKeyWQUXGVITBLQVEH-UHFFFAOYSA-N
XLogP5.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 17093079
4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
CID 100578035
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 166180424
N-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17092952
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-ethoxy-3-nitrobenzamide
CID 17093048
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide
CID 17093072
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2033052
4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 100578045
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide
CID 17093131
N-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17093002
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
CID 146052811
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide (CID 17093013) is N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide is COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide?
The InChIKey is WQUXGVITBLQVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-25(2,3)18-12-9-16(10-13-18)24(29)28-21-15-17(11-14-22(21)30-4)23-26-19-7-5-6-8-20(19)27-23/h5-15H,1-4H3,(H,26,27)(H,28,29).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide?
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide has a molecular weight of 399.49 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide is sourced from PubChem (CID 17093013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).