N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide

C24H26N4O — CID 118986194

IUPACN-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide
SMILESCc1ccc(C)n1CCCC(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H26N4O/c1-17-14-15-18(2)28(17)16-8-13-22(29)27-23(19-9-4-3-5-10-19)24-25-20-11-6-7-12-21(20)26-24/h3-7,9-12,14-15,23H,8,13,16H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyPDSCJCADXDOFHM-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.67
Rot. Bonds7

About N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide

N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide (PubChem CID 118986194) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide.

Molecular Properties

Compound NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide
PubChem CID118986194
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide
SMILESCc1ccc(C)n1CCCC(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H26N4O/c1-17-14-15-18(2)28(17)16-8-13-22(29)27-23(19-9-4-3-5-10-19)24-25-20-11-6-7-12-21(20)26-24/h3-7,9-12,14-15,23H,8,13,16H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyPDSCJCADXDOFHM-UHFFFAOYSA-N
XLogP4.67
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide
CID 110204372
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide
CID 110204544
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 118986181
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110204562
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide
CID 43889826
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
CID 30157732
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide
CID 110205630
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 110205209
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-pyrazol-1-ylbutanamide
CID 71827916
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
CID 43889813
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)propanamide
CID 118986176
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085

Frequently Asked Questions

What is the IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide?
The IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide (CID 118986194) is N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide.
What is the SMILES notation for N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide?
The canonical SMILES for N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide is Cc1ccc(C)n1CCCC(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide?
The InChIKey is PDSCJCADXDOFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-14-15-18(2)28(17)16-8-13-22(29)27-23(19-9-4-3-5-10-19)24-25-20-11-6-7-12-21(20)26-24/h3-7,9-12,14-15,23H,8,13,16H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide?
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide has a molecular weight of 386.50 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide is sourced from PubChem (CID 118986194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).