2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide

C23H19ClN4OS — CID 4212570

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccc(Cl)cc4[nH]3)ccc21
InChIInChI=1S/C23H19ClN4OS/c1-2-28-20-6-4-3-5-16(20)17-12-15(8-10-21(17)28)25-22(29)13-30-23-26-18-9-7-14(24)11-19(18)27-23/h3-12H,2,13H2,1H3,(H,25,29)(H,26,27)
InChIKeyFYCPTSJMLQEHCA-UHFFFAOYSA-N
MW434.95 g/mol
LogP6.07
Rot. Bonds5

About 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 4212570) has the molecular formula C23H19ClN4OS and a molecular weight of 434.95 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID4212570
Molecular FormulaC23H19ClN4OS
Molecular Weight434.95 g/mol
Exact Mass434.10
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccc(Cl)cc4[nH]3)ccc21
InChIInChI=1S/C23H19ClN4OS/c1-2-28-20-6-4-3-5-16(20)17-12-15(8-10-21(17)28)25-22(29)13-30-23-26-18-9-7-14(24)11-19(18)27-23/h3-12H,2,13H2,1H3,(H,25,29)(H,26,27)
InChIKeyFYCPTSJMLQEHCA-UHFFFAOYSA-N
XLogP6.07
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.95
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanyl)-N-(9-ethylcarbazol-3-yl)butanamide
CID 2481644
N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2618184
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(9-ethylcarbazol-3-yl)methylideneamino]acetamide
CID 1125274
5-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-2-[(E)-2-[4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 17324846
propan-2-yl 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 19061687
N-(9-ethylcarbazol-3-yl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2102244
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2085290
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2084598
N-(4-chlorophenyl)-2-[(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 86280773

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide (CID 4212570) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccc(Cl)cc4[nH]3)ccc21.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is FYCPTSJMLQEHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4OS/c1-2-28-20-6-4-3-5-16(20)17-12-15(8-10-21(17)28)25-22(29)13-30-23-26-18-9-7-14(24)11-19(18)27-23/h3-12H,2,13H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 434.95 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 4212570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).