methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide

C17H29N7O4 — CID 160909919

IUPACmethanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide
SMILESCN.CN.CNC(=O)[C@H](CC(N)=O)NC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C15H19N5O4.2CH5N/c1-17-14(23)9(7-12(16)21)18-13(22)8-20-11-6-4-3-5-10(11)19(2)15(20)24;2*1-2/h3-6,9H,7-8H2,1-2H3,(H2,16,21)(H,17,23)(H,18,22);2*2H2,1H3/t9-;;/m0../s1
InChIKeySQQHDUHEQGUABL-WWPIYYJJSA-N
MW395.46 g/mol
LogP-2.40
Rot. Bonds6

About methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide

methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide (PubChem CID 160909919) has the molecular formula C17H29N7O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide.

Molecular Properties

Compound Namemethanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide
PubChem CID160909919
Molecular FormulaC17H29N7O4
Molecular Weight395.46 g/mol
Exact Mass395.23
IUPAC Namemethanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide
SMILESCN.CN.CNC(=O)[C@H](CC(N)=O)NC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C15H19N5O4.2CH5N/c1-17-14(23)9(7-12(16)21)18-13(22)8-20-11-6-4-3-5-10(11)19(2)15(20)24;2*1-2/h3-6,9H,7-8H2,1-2H3,(H2,16,21)(H,17,23)(H,18,22);2*2H2,1H3/t9-;;/m0../s1
InChIKeySQQHDUHEQGUABL-WWPIYYJJSA-N
XLogP-2.40
TPSA180.26 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbutanediamide;methanamine
CID 161154482
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 24609349
3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32637431
N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 60566374
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682430
N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32917381
(2S)-2-[[2-(2-ethenylphenyl)acetyl]amino]-N-methylbutanediamide;methanamine
CID 162183869
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide
CID 95619904
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 55736076
N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32639195
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
(2S)-N-methyl-2-[[2-(3-phenylphenoxy)acetyl]amino]butanediamide
CID 58709545

Frequently Asked Questions

What is the IUPAC name of methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide?
The IUPAC name of methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide (CID 160909919) is methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide.
What is the SMILES notation for methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide?
The canonical SMILES for methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide is CN.CN.CNC(=O)[C@H](CC(N)=O)NC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide?
The InChIKey is SQQHDUHEQGUABL-WWPIYYJJSA-N. The full InChI is InChI=1S/C15H19N5O4.2CH5N/c1-17-14(23)9(7-12(16)21)18-13(22)8-20-11-6-4-3-5-10(11)19(2)15(20)24;2*1-2/h3-6,9H,7-8H2,1-2H3,(H2,16,21)(H,17,23)(H,18,22);2*2H2,1H3/t9-;;/m0../s1.
What are the key properties of methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide?
methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide has a molecular weight of 395.46 g/mol, XLogP of -2.40, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide is sourced from PubChem (CID 160909919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).