2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C21H26N4O3 — CID 92852643

IUPAC2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(NC[C@@H](C)O)nc3ccccc32)cc1
InChIInChI=1S/C21H26N4O3/c1-15(26)13-23-21-24-18-5-3-4-6-19(18)25(21)14-20(27)22-12-11-16-7-9-17(28-2)10-8-16/h3-10,15,26H,11-14H2,1-2H3,(H,22,27)(H,23,24)/t15-/m1/s1
InChIKeyBZWHADUUWKQXQS-OAHLLOKOSA-N
MW382.46 g/mol
LogP2.20
Rot. Bonds9

About 2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 92852643) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID92852643
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(NC[C@@H](C)O)nc3ccccc32)cc1
InChIInChI=1S/C21H26N4O3/c1-15(26)13-23-21-24-18-5-3-4-6-19(18)25(21)14-20(27)22-12-11-16-7-9-17(28-2)10-8-16/h3-10,15,26H,11-14H2,1-2H3,(H,22,27)(H,23,24)/t15-/m1/s1
InChIKeyBZWHADUUWKQXQS-OAHLLOKOSA-N
XLogP2.20
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
CID 42971097
N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971045
2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7024444
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 5187497
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17028897
N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028946
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 92852643) is 2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2c(NC[C@@H](C)O)nc3ccccc32)cc1.
What is the InChIKey of 2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is BZWHADUUWKQXQS-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15(26)13-23-21-24-18-5-3-4-6-19(18)25(21)14-20(27)22-12-11-16-7-9-17(28-2)10-8-16/h3-10,15,26H,11-14H2,1-2H3,(H,22,27)(H,23,24)/t15-/m1/s1.
What are the key properties of 2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.20, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 92852643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).