(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C14H16N4O2 — CID 126431332

IUPAC(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2ccc3nc[nH]c3c2)CC1=O
InChIInChI=1S/C14H16N4O2/c1-18-7-10(5-13(18)19)14(20)15-6-9-2-3-11-12(4-9)17-8-16-11/h2-4,8,10H,5-7H2,1H3,(H,15,20)(H,16,17)/t10-/m0/s1
InChIKeyIXWZUYPTMCOLBN-JTQLQIEISA-N
MW272.31 g/mol
LogP0.66
Rot. Bonds3

About (3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 126431332) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID126431332
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2ccc3nc[nH]c3c2)CC1=O
InChIInChI=1S/C14H16N4O2/c1-18-7-10(5-13(18)19)14(20)15-6-9-2-3-11-12(4-9)17-8-16-11/h2-4,8,10H,5-7H2,1H3,(H,15,20)(H,16,17)/t10-/m0/s1
InChIKeyIXWZUYPTMCOLBN-JTQLQIEISA-N
XLogP0.66
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155492188
(4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 126453695
N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110785482
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide
CID 126451275
N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide
CID 110482372
(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide
CID 126453026
methyl 2-(3H-benzimidazol-5-ylmethylamino)-2-oxoacetate
CID 115142411
(3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94171902
1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea
CID 110775446
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 126431332) is (3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1C[C@@H](C(=O)NCc2ccc3nc[nH]c3c2)CC1=O.
What is the InChIKey of (3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IXWZUYPTMCOLBN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18-7-10(5-13(18)19)14(20)15-6-9-2-3-11-12(4-9)17-8-16-11/h2-4,8,10H,5-7H2,1H3,(H,15,20)(H,16,17)/t10-/m0/s1.
What are the key properties of (3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126431332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).