4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide

C25H24N4OS — CID 2481644

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCCSc3nc4ccccc4[nH]3)ccc21
InChIInChI=1S/C25H24N4OS/c1-2-29-22-11-6-3-8-18(22)19-16-17(13-14-23(19)29)26-24(30)12-7-15-31-25-27-20-9-4-5-10-21(20)28-25/h3-6,8-11,13-14,16H,2,7,12,15H2,1H3,(H,26,30)(H,27,28)
InChIKeyDQOVWJJEVWWRTJ-UHFFFAOYSA-N
MW428.56 g/mol
LogP6.20
Rot. Bonds7

About 4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide

4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide (PubChem CID 2481644) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide
PubChem CID2481644
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCCSc3nc4ccccc4[nH]3)ccc21
InChIInChI=1S/C25H24N4OS/c1-2-29-22-11-6-3-8-18(22)19-16-17(13-14-23(19)29)26-24(30)12-7-15-31-25-27-20-9-4-5-10-21(20)28-25/h3-6,8-11,13-14,16H,2,7,12,15H2,1H3,(H,26,30)(H,27,28)
InChIKeyDQOVWJJEVWWRTJ-UHFFFAOYSA-N
XLogP6.20
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide
CID 4212570
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(9-ethylcarbazol-3-yl)methylideneamino]acetamide
CID 1125274
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
4-(1H-benzimidazol-2-ylsulfanyl)-N-hydroxybutanamide
CID 165347848
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847003
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
N-(9-ethylcarbazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 2466222
4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide
CID 22633522
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide (CID 2481644) is 4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide is CCn1c2ccccc2c2cc(NC(=O)CCCSc3nc4ccccc4[nH]3)ccc21.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide?
The InChIKey is DQOVWJJEVWWRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c1-2-29-22-11-6-3-8-18(22)19-16-17(13-14-23(19)29)26-24(30)12-7-15-31-25-27-20-9-4-5-10-21(20)28-25/h3-6,8-11,13-14,16H,2,7,12,15H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide?
4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide has a molecular weight of 428.56 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide is sourced from PubChem (CID 2481644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).