2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide

C20H22N4O — CID 139894610

IUPAC2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
SMILESCc1nc2ccc(CC(=O)Nc3ccc4c(c3)CN(C)CC4)cc2[nH]1
InChIInChI=1S/C20H22N4O/c1-13-21-18-6-3-14(9-19(18)22-13)10-20(25)23-17-5-4-15-7-8-24(2)12-16(15)11-17/h3-6,9,11H,7-8,10,12H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyDSMSSTHHKVANPZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.04
Rot. Bonds3

About 2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide

2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide (PubChem CID 139894610) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
PubChem CID139894610
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
SMILESCc1nc2ccc(CC(=O)Nc3ccc4c(c3)CN(C)CC4)cc2[nH]1
InChIInChI=1S/C20H22N4O/c1-13-21-18-6-3-14(9-19(18)22-13)10-20(25)23-17-5-4-15-7-8-24(2)12-16(15)11-17/h3-6,9,11H,7-8,10,12H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyDSMSSTHHKVANPZ-UHFFFAOYSA-N
XLogP3.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 74234087
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide
CID 139894614
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
2-(2-methyl-3H-benzimidazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772690
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355
2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60853212
N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
CID 127255298
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide?
The IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide (CID 139894610) is 2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide?
The canonical SMILES for 2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide is Cc1nc2ccc(CC(=O)Nc3ccc4c(c3)CN(C)CC4)cc2[nH]1.
What is the InChIKey of 2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide?
The InChIKey is DSMSSTHHKVANPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-21-18-6-3-14(9-19(18)22-13)10-20(25)23-17-5-4-15-7-8-24(2)12-16(15)11-17/h3-6,9,11H,7-8,10,12H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide?
2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide is sourced from PubChem (CID 139894610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).