N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide

C20H24N4O2 — CID 1075578

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide
SMILESCCN(CC)CCn1c(NC(=O)c2ccccc2O)nc2ccccc21
InChIInChI=1S/C20H24N4O2/c1-3-23(4-2)13-14-24-17-11-7-6-10-16(17)21-20(24)22-19(26)15-9-5-8-12-18(15)25/h5-12,25H,3-4,13-14H2,1-2H3,(H,21,22,26)
InChIKeyWHGWZZZSNDKTSQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.34
Rot. Bonds7

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide (PubChem CID 1075578) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide
PubChem CID1075578
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide
SMILESCCN(CC)CCn1c(NC(=O)c2ccccc2O)nc2ccccc21
InChIInChI=1S/C20H24N4O2/c1-3-23(4-2)13-14-24-17-11-7-6-10-16(17)21-20(24)22-19(26)15-9-5-8-12-18(15)25/h5-12,25H,3-4,13-14H2,1-2H3,(H,21,22,26)
InChIKeyWHGWZZZSNDKTSQ-UHFFFAOYSA-N
XLogP3.34
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzamide, N-1H-benzimidazol-2-yl-2-hydroxy-
CID 583995
4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715143
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 682797
N-(1H-benzimidazol-2-yl)-2-methoxybenzamide
CID 854418
2-[[(1-Prop-2-enylbenzimidazol-2-yl)amino]methyl]phenol
CID 890291
4-Methyl-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 930436
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110
2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide
CID 145946097
2-[[(1-Methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol
CID 889915
1-ethyl-N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 3665533
1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 135519894
2-{[(1-methyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715137

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide (CID 1075578) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide is CCN(CC)CCn1c(NC(=O)c2ccccc2O)nc2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide?
The InChIKey is WHGWZZZSNDKTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-23(4-2)13-14-24-17-11-7-6-10-16(17)21-20(24)22-19(26)15-9-5-8-12-18(15)25/h5-12,25H,3-4,13-14H2,1-2H3,(H,21,22,26).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide has a molecular weight of 352.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 1075578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).