N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide

C23H21ClN4O3S — CID 50751969

IUPACN-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESCn1c(CCNC(=O)c2cccs2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21
InChIInChI=1S/C23H21ClN4O3S/c1-28-18-9-8-15(26-22(29)14-31-19-6-3-2-5-16(19)24)13-17(18)27-21(28)10-11-25-23(30)20-7-4-12-32-20/h2-9,12-13H,10-11,14H2,1H3,(H,25,30)(H,26,29)
InChIKeyBUHUWEKVQMWEGY-UHFFFAOYSA-N
MW468.97 g/mol
LogP4.28
Rot. Bonds8

About N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide

N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 50751969) has the molecular formula C23H21ClN4O3S and a molecular weight of 468.97 g/mol. Its IUPAC name is N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID50751969
Molecular FormulaC23H21ClN4O3S
Molecular Weight468.97 g/mol
Exact Mass468.10
IUPAC NameN-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESCn1c(CCNC(=O)c2cccs2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21
InChIInChI=1S/C23H21ClN4O3S/c1-28-18-9-8-15(26-22(29)14-31-19-6-3-2-5-16(19)24)13-17(18)27-21(28)10-11-25-23(30)20-7-4-12-32-20/h2-9,12-13H,10-11,14H2,1H3,(H,25,30)(H,26,29)
InChIKeyBUHUWEKVQMWEGY-UHFFFAOYSA-N
XLogP4.28
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.97
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751908
N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751833
2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 23611162
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 2994859
2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide
CID 50751924
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625
N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454
2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 17236140
2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide
CID 4895369
N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 46270417
N-[2-[1-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270460
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide (CID 50751969) is N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide is Cn1c(CCNC(=O)c2cccs2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21.
What is the InChIKey of N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is BUHUWEKVQMWEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3S/c1-28-18-9-8-15(26-22(29)14-31-19-6-3-2-5-16(19)24)13-17(18)27-21(28)10-11-25-23(30)20-7-4-12-32-20/h2-9,12-13H,10-11,14H2,1H3,(H,25,30)(H,26,29).
What are the key properties of N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 468.97 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 50751969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).