N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide

C19H22N4O — CID 170535613

IUPACN-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cccc(-c2nc3ccc(C)cc3[nH]2)c1
InChIInChI=1S/C19H22N4O/c1-13-6-7-17-18(10-13)23-19(22-17)16-5-3-4-15(11-16)12-20-8-9-21-14(2)24/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLEGXNBOGJOADGR-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.76
Rot. Bonds6

About N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide

N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide (PubChem CID 170535613) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide
PubChem CID170535613
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cccc(-c2nc3ccc(C)cc3[nH]2)c1
InChIInChI=1S/C19H22N4O/c1-13-6-7-17-18(10-13)23-19(22-17)16-5-3-4-15(11-16)12-20-8-9-21-14(2)24/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLEGXNBOGJOADGR-UHFFFAOYSA-N
XLogP2.76
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
tert-butyl N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]methyl]carbamate
CID 59487175
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214
N-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-2-pyridin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 44524779
N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide
CID 19840405
N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100579292
6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771
2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide
CID 169368338
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
methyl 3-[[[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methylamino]methyl]benzoate;2,2,2-trifluoroacetic acid
CID 44524946

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide (CID 170535613) is N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1cccc(-c2nc3ccc(C)cc3[nH]2)c1.
What is the InChIKey of N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide?
The InChIKey is LEGXNBOGJOADGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-6-7-17-18(10-13)23-19(22-17)16-5-3-4-15(11-16)12-20-8-9-21-14(2)24/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide?
N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 170535613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).