4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide

C19H21N5O3 — CID 55503123

IUPAC4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)Cn2c(NCCO)nc3ccccc32)cc1
InChIInChI=1S/C19H21N5O3/c1-20-18(27)13-6-8-14(9-7-13)22-17(26)12-24-16-5-3-2-4-15(16)23-19(24)21-10-11-25/h2-9,25H,10-12H2,1H3,(H,20,27)(H,21,23)(H,22,26)
InChIKeyRUWHGYUCFYBWOD-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.44
Rot. Bonds7

About 4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide

4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide (PubChem CID 55503123) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide
PubChem CID55503123
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)Cn2c(NCCO)nc3ccccc32)cc1
InChIInChI=1S/C19H21N5O3/c1-20-18(27)13-6-8-14(9-7-13)22-17(26)12-24-16-5-3-2-4-15(16)23-19(24)21-10-11-25/h2-9,25H,10-12H2,1H3,(H,20,27)(H,21,23)(H,22,26)
InChIKeyRUWHGYUCFYBWOD-UHFFFAOYSA-N
XLogP1.44
TPSA108.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142198
1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
CID 2851199
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445
4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 24609226
N-(4-tert-butylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4566508
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971045
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 51142185
4-[[2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
CID 84572954
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone
CID 2850068
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 17463775
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide (CID 55503123) is 4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)Cn2c(NCCO)nc3ccccc32)cc1.
What is the InChIKey of 4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide?
The InChIKey is RUWHGYUCFYBWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-20-18(27)13-6-8-14(9-7-13)22-17(26)12-24-16-5-3-2-4-15(16)23-19(24)21-10-11-25/h2-9,25H,10-12H2,1H3,(H,20,27)(H,21,23)(H,22,26).
What are the key properties of 4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide?
4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide has a molecular weight of 367.41 g/mol, XLogP of 1.44, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 55503123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).