2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide

C19H21N3O2 — CID 16995539

IUPAC2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(CCCO)nc2ccccc21)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-21(15-8-3-2-4-9-15)19(24)14-22-17-11-6-5-10-16(17)20-18(22)12-7-13-23/h2-6,8-11,23H,7,12-14H2,1H3
InChIKeyHYVJZBFJPWXIJV-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.62
Rot. Bonds6

About 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide

2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 16995539) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide
PubChem CID16995539
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(CCCO)nc2ccccc21)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-21(15-8-3-2-4-9-15)19(24)14-22-17-11-6-5-10-16(17)20-18(22)12-7-13-23/h2-6,8-11,23H,7,12-14H2,1H3
InChIKeyHYVJZBFJPWXIJV-UHFFFAOYSA-N
XLogP2.62
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide
CID 16981517
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 36676558
4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984537
(Z)-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 16986199
methyl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995551
2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989568
2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989892
4-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991512
N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
CID 19242365
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16997554
propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995553
2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 40844394

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide (CID 16995539) is 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)Cn1c(CCCO)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is HYVJZBFJPWXIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21(15-8-3-2-4-9-15)19(24)14-22-17-11-6-5-10-16(17)20-18(22)12-7-13-23/h2-6,8-11,23H,7,12-14H2,1H3.
What are the key properties of 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 323.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 16995539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).