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

C20H26N4O — CID 110205676

IUPAC(2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide
SMILESCC(C)C[C@H](C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1)n1cccc1
InChIInChI=1S/C20H26N4O/c1-13(2)11-18(24-9-5-6-10-24)20(25)21-15-7-8-16-17(12-15)23-19(22-16)14(3)4/h5-10,12-14,18H,11H2,1-4H3,(H,21,25)(H,22,23)/t18-/m1/s1
InChIKeyJKXPWDWUHQNTSR-GOSISDBHSA-N
MW338.46 g/mol
LogP4.71
Rot. Bonds6

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

(2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide (PubChem CID 110205676) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide
PubChem CID110205676
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide
SMILESCC(C)C[C@H](C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1)n1cccc1
InChIInChI=1S/C20H26N4O/c1-13(2)11-18(24-9-5-6-10-24)20(25)21-15-7-8-16-17(12-15)23-19(22-16)14(3)4/h5-10,12-14,18H,11H2,1-4H3,(H,21,25)(H,22,23)/t18-/m1/s1
InChIKeyJKXPWDWUHQNTSR-GOSISDBHSA-N
XLogP4.71
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylbutanamide
CID 121239448
(2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 110205851
(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
3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
CID 110204352
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239966
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)carbamoylamino]acetic acid
CID 98034048
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide
CID 131908353
N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239830
N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765669
N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765672
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
CID 71706475

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide?
The IUPAC name of (2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide (CID 110205676) is (2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for (2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide?
The canonical SMILES for (2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide is CC(C)C[C@H](C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1)n1cccc1.
What is the InChIKey of (2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide?
The InChIKey is JKXPWDWUHQNTSR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13(2)11-18(24-9-5-6-10-24)20(25)21-15-7-8-16-17(12-15)23-19(22-16)14(3)4/h5-10,12-14,18H,11H2,1-4H3,(H,21,25)(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide?
(2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide has a molecular weight of 338.46 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 110205676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).