4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

C19H21N3O3 — CID 59980671

IUPAC4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCOc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H21N3O3/c1-19(2,3)12-7-5-11(6-8-12)17(23)20-15-9-13-14(10-16(15)25-4)22-18(24)21-13/h5-10H,1-4H3,(H,20,23)(H2,21,22,24)
InChIKeyIDLQBOBXUYWKOD-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.41
Rot. Bonds3

About 4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 59980671) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID59980671
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCOc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H21N3O3/c1-19(2,3)12-7-5-11(6-8-12)17(23)20-15-9-13-14(10-16(15)25-4)22-18(24)21-13/h5-10H,1-4H3,(H,20,23)(H2,21,22,24)
InChIKeyIDLQBOBXUYWKOD-UHFFFAOYSA-N
XLogP3.41
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1122084
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
CID 17093013
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956
4-tert-butyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30399035
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 2332529
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 42089647

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 59980671) is 4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is COc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is IDLQBOBXUYWKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(2,3)12-7-5-11(6-8-12)17(23)20-15-9-13-14(10-16(15)25-4)22-18(24)21-13/h5-10H,1-4H3,(H,20,23)(H2,21,22,24).
What are the key properties of 4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 339.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 59980671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).