4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide

C20H20N4O — CID 51044500

IUPAC4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
SMILESCc1nc2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2[nH]1
InChIInChI=1S/C20H20N4O/c1-13-22-18-10-9-15(11-19(18)23-13)24-20(25)8-4-5-14-12-21-17-7-3-2-6-16(14)17/h2-3,6-7,9-12,21H,4-5,8H2,1H3,(H,22,23)(H,24,25)
InChIKeySCUYVPOUAFFPMZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.31
Rot. Bonds5

About 4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide

4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide (PubChem CID 51044500) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
PubChem CID51044500
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
SMILESCc1nc2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2[nH]1
InChIInChI=1S/C20H20N4O/c1-13-22-18-10-9-15(11-19(18)23-13)24-20(25)8-4-5-14-12-21-17-7-3-2-6-16(14)17/h2-3,6-7,9-12,21H,4-5,8H2,1H3,(H,22,23)(H,24,25)
InChIKeySCUYVPOUAFFPMZ-UHFFFAOYSA-N
XLogP4.31
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
N-(2-ethyl-3H-benzimidazol-5-yl)-2-(1H-indol-3-yl)acetamide
CID 110793188
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355
N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
CID 127255298
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 162628292
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 155945331
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide (CID 51044500) is 4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide is Cc1nc2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2[nH]1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
The InChIKey is SCUYVPOUAFFPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-13-22-18-10-9-15(11-19(18)23-13)24-20(25)8-4-5-14-12-21-17-7-3-2-6-16(14)17/h2-3,6-7,9-12,21H,4-5,8H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide has a molecular weight of 332.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide is sourced from PubChem (CID 51044500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).