(2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide

C20H24N4O — CID 99987005

IUPAC(2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc([C@@H](C(=O)NCc2ccc3nc(C)[nH]c3c2)N(C)C)c1
InChIInChI=1S/C20H24N4O/c1-13-6-5-7-16(10-13)19(24(3)4)20(25)21-12-15-8-9-17-18(11-15)23-14(2)22-17/h5-11,19H,12H2,1-4H3,(H,21,25)(H,22,23)/t19-/m0/s1
InChIKeyVIUAGJZIVOMGTD-IBGZPJMESA-N
MW336.44 g/mol
LogP3.10
Rot. Bonds5

About (2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide

(2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide (PubChem CID 99987005) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide
PubChem CID99987005
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc([C@@H](C(=O)NCc2ccc3nc(C)[nH]c3c2)N(C)C)c1
InChIInChI=1S/C20H24N4O/c1-13-6-5-7-16(10-13)19(24(3)4)20(25)21-12-15-8-9-17-18(11-15)23-14(2)22-17/h5-11,19H,12H2,1-4H3,(H,21,25)(H,22,23)/t19-/m0/s1
InChIKeyVIUAGJZIVOMGTD-IBGZPJMESA-N
XLogP3.10
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
CID 99995565
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 116857134
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 95148715
2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116914786
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
(2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide
CID 99936083
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136822789
3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785691
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide (CID 99987005) is (2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide is Cc1cccc([C@@H](C(=O)NCc2ccc3nc(C)[nH]c3c2)N(C)C)c1.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is VIUAGJZIVOMGTD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N4O/c1-13-6-5-7-16(10-13)19(24(3)4)20(25)21-12-15-8-9-17-18(11-15)23-14(2)22-17/h5-11,19H,12H2,1-4H3,(H,21,25)(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide?
(2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 99987005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).