N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide

C23H26N4O — CID 86207604

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide
SMILESCC(C)C(NC(=O)c1cccc2c1ccn2C(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H26N4O/c1-14(2)21(22-24-18-9-5-6-10-19(18)25-22)26-23(28)17-8-7-11-20-16(17)12-13-27(20)15(3)4/h5-15,21H,1-4H3,(H,24,25)(H,26,28)
InChIKeyGKCZYQBYOLUALI-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.23
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide (PubChem CID 86207604) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide
PubChem CID86207604
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide
SMILESCC(C)C(NC(=O)c1cccc2c1ccn2C(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H26N4O/c1-14(2)21(22-24-18-9-5-6-10-19(18)25-22)26-23(28)17-8-7-11-20-16(17)12-13-27(20)15(3)4/h5-15,21H,1-4H3,(H,24,25)(H,26,28)
InChIKeyGKCZYQBYOLUALI-UHFFFAOYSA-N
XLogP5.23
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 75903083
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976349
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-indol-1-ylacetamide
CID 86207491
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-6-carboxamide
CID 124847703
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-5-carboxamide
CID 86206903
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 9120351
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide
CID 134059923
5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120643289

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide (CID 86207604) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide is CC(C)C(NC(=O)c1cccc2c1ccn2C(C)C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide?
The InChIKey is GKCZYQBYOLUALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-14(2)21(22-24-18-9-5-6-10-19(18)25-22)26-23(28)17-8-7-11-20-16(17)12-13-27(20)15(3)4/h5-15,21H,1-4H3,(H,24,25)(H,26,28).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 86207604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).