N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide

C20H24N4O2 — CID 42971045

IUPACN-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(NCC(C)O)nc3ccccc32)cc1C
InChIInChI=1S/C20H24N4O2/c1-13-8-9-16(10-14(13)2)22-19(26)12-24-18-7-5-4-6-17(18)23-20(24)21-11-15(3)25/h4-10,15,25H,11-12H2,1-3H3,(H,21,23)(H,22,26)
InChIKeyABBLCZHBEBSSDK-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.08
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide (PubChem CID 42971045) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
PubChem CID42971045
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(NCC(C)O)nc3ccccc32)cc1C
InChIInChI=1S/C20H24N4O2/c1-13-8-9-16(10-14(13)2)22-19(26)12-24-18-7-5-4-6-17(18)23-20(24)21-11-15(3)25/h4-10,15,25H,11-12H2,1-3H3,(H,21,23)(H,22,26)
InChIKeyABBLCZHBEBSSDK-UHFFFAOYSA-N
XLogP3.08
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971048
N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42904076
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-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
CID 42971097
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029087
N-(3,4-dimethylphenyl)-2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]acetamide
CID 17030051
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 92852643
2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029427

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide (CID 42971045) is N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2c(NCC(C)O)nc3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The InChIKey is ABBLCZHBEBSSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-8-9-16(10-14(13)2)22-19(26)12-24-18-7-5-4-6-17(18)23-20(24)21-11-15(3)25/h4-10,15,25H,11-12H2,1-3H3,(H,21,23)(H,22,26).
What are the key properties of N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 42971045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).