4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide

C18H19N3O2 — CID 110880427

IUPAC4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C18H19N3O2/c1-2-14(11-22)20-18(23)13-7-9-15(10-8-13)21-12-19-16-5-3-4-6-17(16)21/h3-10,12,14,22H,2,11H2,1H3,(H,20,23)
InChIKeyYBVCEOPUYQJWOI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.53
Rot. Bonds5

About 4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide

4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide (PubChem CID 110880427) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide
PubChem CID110880427
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C18H19N3O2/c1-2-14(11-22)20-18(23)13-7-9-15(10-8-13)21-12-19-16-5-3-4-6-17(16)21/h3-10,12,14,22H,2,11H2,1H3,(H,20,23)
InChIKeyYBVCEOPUYQJWOI-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide
CID 24624881
4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
CID 30332300
N-(2-amino-1-cyclopropylethyl)-4-(benzimidazol-1-yl)benzamide
CID 119613835
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 25329425
4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 18150595
4-(benzimidazol-1-yl)-N-cyclopentylbenzamide
CID 22110686
4-(benzimidazol-1-yl)-N'-[2-(4-fluorophenyl)acetyl]benzohydrazide
CID 55379419
N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 24600085
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
3-[[4-(benzimidazol-1-yl)phenyl]methylamino]-N-butan-2-ylpropanamide
CID 78894946

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide (CID 110880427) is 4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide is CCC(CO)NC(=O)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide?
The InChIKey is YBVCEOPUYQJWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-14(11-22)20-18(23)13-7-9-15(10-8-13)21-12-19-16-5-3-4-6-17(16)21/h3-10,12,14,22H,2,11H2,1H3,(H,20,23).
What are the key properties of 4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide?
4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 110880427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).