2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C20H19N5O2 — CID 146148809

IUPAC2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc2cnccc2c1
InChIInChI=1S/C20H19N5O2/c1-25(11-13-2-3-15-10-21-7-6-14(15)8-13)12-19(26)22-16-4-5-17-18(9-16)24-20(27)23-17/h2-10H,11-12H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyBXPJQIHEOKBCKX-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.47
Rot. Bonds5

About 2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 146148809) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID146148809
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc2cnccc2c1
InChIInChI=1S/C20H19N5O2/c1-25(11-13-2-3-15-10-21-7-6-14(15)8-13)12-19(26)22-16-4-5-17-18(9-16)24-20(27)23-17/h2-10H,11-12H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyBXPJQIHEOKBCKX-UHFFFAOYSA-N
XLogP2.47
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
N-(1H-indazol-6-yl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772201
3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 18160949
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
N-isoquinolin-6-ylbutanamide
CID 118007953
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 51076004
N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563094
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9261630
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 110724040

Frequently Asked Questions

What is the IUPAC name of 2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 146148809) is 2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is CN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc2cnccc2c1.
What is the InChIKey of 2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is BXPJQIHEOKBCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25(11-13-2-3-15-10-21-7-6-14(15)8-13)12-19(26)22-16-4-5-17-18(9-16)24-20(27)23-17/h2-10H,11-12H2,1H3,(H,22,26)(H2,23,24,27).
What are the key properties of 2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 361.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[isoquinolin-6-ylmethyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 146148809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).