(2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide

C17H20N4O — CID 110205851

IUPAC(2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
SMILESCC(C)C[C@H](C(=O)Nc1ccc2nc[nH]c2c1)n1cccc1
InChIInChI=1S/C17H20N4O/c1-12(2)9-16(21-7-3-4-8-21)17(22)20-13-5-6-14-15(10-13)19-11-18-14/h3-8,10-12,16H,9H2,1-2H3,(H,18,19)(H,20,22)/t16-/m1/s1
InChIKeyKZVKXILALQEAHT-MRXNPFEDSA-N
MW296.37 g/mol
LogP3.59
Rot. Bonds5

About (2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide

(2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide (PubChem CID 110205851) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound Name(2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
PubChem CID110205851
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
SMILESCC(C)C[C@H](C(=O)Nc1ccc2nc[nH]c2c1)n1cccc1
InChIInChI=1S/C17H20N4O/c1-12(2)9-16(21-7-3-4-8-21)17(22)20-13-5-6-14-15(10-13)19-11-18-14/h3-8,10-12,16H,9H2,1-2H3,(H,18,19)(H,20,22)/t16-/m1/s1
InChIKeyKZVKXILALQEAHT-MRXNPFEDSA-N
XLogP3.59
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide
CID 110205676
(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide
CID 126418132
4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide
CID 3506875
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239966
2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide
CID 115186850
N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 108529252
N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239830
(3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
CID 125123430
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
N-(3H-benzimidazol-5-yl)-3-chloropropanamide
CID 110460990

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide?
The IUPAC name of (2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide (CID 110205851) is (2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for (2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide?
The canonical SMILES for (2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide is CC(C)C[C@H](C(=O)Nc1ccc2nc[nH]c2c1)n1cccc1.
What is the InChIKey of (2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide?
The InChIKey is KZVKXILALQEAHT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(2)9-16(21-7-3-4-8-21)17(22)20-13-5-6-14-15(10-13)19-11-18-14/h3-8,10-12,16H,9H2,1-2H3,(H,18,19)(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide?
(2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide has a molecular weight of 296.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 110205851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).