1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C18H24N4O2 — CID 102564420

IUPAC1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)[C@H](NC(=O)C1CC(=O)N(C)C1)c1nc2ccccc2n1C
InChIInChI=1S/C18H24N4O2/c1-11(2)16(20-18(24)12-9-15(23)21(3)10-12)17-19-13-7-5-6-8-14(13)22(17)4/h5-8,11-12,16H,9-10H2,1-4H3,(H,20,24)/t12?,16-/m0/s1
InChIKeyAURYXCNDHUNXIN-INSVYWFGSA-N
MW328.42 g/mol
LogP1.86
Rot. Bonds4

About 1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide

1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 102564420) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID102564420
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)[C@H](NC(=O)C1CC(=O)N(C)C1)c1nc2ccccc2n1C
InChIInChI=1S/C18H24N4O2/c1-11(2)16(20-18(24)12-9-15(23)21(3)10-12)17-19-13-7-5-6-8-14(13)22(17)4/h5-8,11-12,16H,9-10H2,1-4H3,(H,20,24)/t12?,16-/m0/s1
InChIKeyAURYXCNDHUNXIN-INSVYWFGSA-N
XLogP1.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 121240654
3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91639142
N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119889969
N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 102564423
N-[(1R)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopropanecarboxamide
CID 124862001
2-(2-methoxyphenyl)-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91823296
3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43354000
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 86207401
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 91823010
N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 86207137
(2S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119890016

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 102564420) is 1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide is CC(C)[C@H](NC(=O)C1CC(=O)N(C)C1)c1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AURYXCNDHUNXIN-INSVYWFGSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)16(20-18(24)12-9-15(23)21(3)10-12)17-19-13-7-5-6-8-14(13)22(17)4/h5-8,11-12,16H,9-10H2,1-4H3,(H,20,24)/t12?,16-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 102564420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).