N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide

C24H24N4O2 — CID 91639034

IUPACN-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide
SMILESCn1ccnc1C(=O)c1cccc(NC(=O)CCCc2cn(C)c3ccccc23)c1
InChIInChI=1S/C24H24N4O2/c1-27-14-13-25-24(27)23(30)17-7-5-9-19(15-17)26-22(29)12-6-8-18-16-28(2)21-11-4-3-10-20(18)21/h3-5,7,9-11,13-16H,6,8,12H2,1-2H3,(H,26,29)
InChIKeyBMSNCOMELRBNKL-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.10
Rot. Bonds7

About N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide

N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide (PubChem CID 91639034) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide.

Molecular Properties

Compound NameN-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide
PubChem CID91639034
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide
SMILESCn1ccnc1C(=O)c1cccc(NC(=O)CCCc2cn(C)c3ccccc23)c1
InChIInChI=1S/C24H24N4O2/c1-27-14-13-25-24(27)23(30)17-7-5-9-19(15-17)26-22(29)12-6-8-18-16-28(2)21-11-4-3-10-20(18)21/h3-5,7,9-11,13-16H,6,8,12H2,1-2H3,(H,26,29)
InChIKeyBMSNCOMELRBNKL-UHFFFAOYSA-N
XLogP4.10
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide
CID 125433246
3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 71703575
5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 140983112
N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide
CID 22522913
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124655998
4-(1-methylindol-3-yl)butanamide
CID 175206986
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 75490431
N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(1-methylimidazole-2-carbonyl)phenyl]oxamide
CID 51043237
3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
CID 110467287
3-(1-methylindol-3-yl)-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
CID 71917336
N-(5-methyl-1H-imidazol-2-yl)-3-(1-methylindol-3-yl)propanamide
CID 71913209
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide
CID 24555609

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide?
The IUPAC name of N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide (CID 91639034) is N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide.
What is the SMILES notation for N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide?
The canonical SMILES for N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide is Cn1ccnc1C(=O)c1cccc(NC(=O)CCCc2cn(C)c3ccccc23)c1.
What is the InChIKey of N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide?
The InChIKey is BMSNCOMELRBNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-27-14-13-25-24(27)23(30)17-7-5-9-19(15-17)26-22(29)12-6-8-18-16-28(2)21-11-4-3-10-20(18)21/h3-5,7,9-11,13-16H,6,8,12H2,1-2H3,(H,26,29).
What are the key properties of N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide?
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide has a molecular weight of 400.48 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide is sourced from PubChem (CID 91639034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).