(1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine

C22H26Cl2N4O3S — CID 41152806

IUPAC(1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCn1c(CN[C@H](C)c2ccc(Cl)c(Cl)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C22H26Cl2N4O3S/c1-3-28-21-7-5-17(32(29,30)27-8-10-31-11-9-27)13-20(21)26-22(28)14-25-15(2)16-4-6-18(23)19(24)12-16/h4-7,12-13,15,25H,3,8-11,14H2,1-2H3/t15-/m1/s1
InChIKeyODCOWOVLZRLFHB-OAHLLOKOSA-N
MW497.45 g/mol
LogP4.23
Rot. Bonds7

About (1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine

(1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine (PubChem CID 41152806) has the molecular formula C22H26Cl2N4O3S and a molecular weight of 497.45 g/mol. Its IUPAC name is (1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine
PubChem CID41152806
Molecular FormulaC22H26Cl2N4O3S
Molecular Weight497.45 g/mol
Exact Mass496.11
IUPAC Name(1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCn1c(CN[C@H](C)c2ccc(Cl)c(Cl)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C22H26Cl2N4O3S/c1-3-28-21-7-5-17(32(29,30)27-8-10-31-11-9-27)13-20(21)26-22(28)14-25-15(2)16-4-6-18(23)19(24)12-16/h4-7,12-13,15,25H,3,8-11,14H2,1-2H3/t15-/m1/s1
InChIKeyODCOWOVLZRLFHB-OAHLLOKOSA-N
XLogP4.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-methylpropanoate
CID 7765982
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide
CID 24680180
4-[2-[(2,4-difluorophenyl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 27640814
N-(dicyclopropylmethyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24620700
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16510180
4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 55839475
4-[2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 27805928
2-O-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504834
(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-amino-3-chlorobenzoate
CID 24531252
4-(1-ethyl-2-prop-2-enylsulfanylbenzimidazol-5-yl)sulfonylmorpholine
CID 7506967
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 16510150
4-[2-[(4-tert-butylphenyl)methylsulfanyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 16510123

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine (CID 41152806) is (1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine is CCn1c(CN[C@H](C)c2ccc(Cl)c(Cl)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of (1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is ODCOWOVLZRLFHB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26Cl2N4O3S/c1-3-28-21-7-5-17(32(29,30)27-8-10-31-11-9-27)13-20(21)26-22(28)14-25-15(2)16-4-6-18(23)19(24)12-16/h4-7,12-13,15,25H,3,8-11,14H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine?
(1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 497.45 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 41152806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).