(5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one

C20H21Cl2N3O — CID 159287330

IUPAC(5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one
SMILESCN[C@@H](CC(=O)CCc1nc2ccccc2[nH]1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21Cl2N3O/c1-23-15(10-13-6-7-14(21)11-17(13)22)12-16(26)8-9-20-24-18-4-2-3-5-19(18)25-20/h2-7,11,15,23H,8-10,12H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyKZRDBKHXIGDSEM-OAHLLOKOSA-N
MW390.31 g/mol
LogP4.59
Rot. Bonds8

About (5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one

(5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one (PubChem CID 159287330) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is (5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one.

Molecular Properties

Compound Name(5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one
PubChem CID159287330
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name(5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one
SMILESCN[C@@H](CC(=O)CCc1nc2ccccc2[nH]1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21Cl2N3O/c1-23-15(10-13-6-7-14(21)11-17(13)22)12-16(26)8-9-20-24-18-4-2-3-5-19(18)25-20/h2-7,11,15,23H,8-10,12H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyKZRDBKHXIGDSEM-OAHLLOKOSA-N
XLogP4.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
CID 130467580
(2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide
CID 130448110
2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide
CID 118878691
N-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)acetamide
CID 2678955
N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide
CID 27449168
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 78913569
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
2-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 66526990
4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide
CID 46411057
2-(1H-benzimidazol-2-yl)-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]ethanamine
CID 66537551
2-(1H-benzimidazol-2-yl)-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 66537131

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one?
The IUPAC name of (5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one (CID 159287330) is (5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one.
What is the SMILES notation for (5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one?
The canonical SMILES for (5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one is CN[C@@H](CC(=O)CCc1nc2ccccc2[nH]1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one?
The InChIKey is KZRDBKHXIGDSEM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c1-23-15(10-13-6-7-14(21)11-17(13)22)12-16(26)8-9-20-24-18-4-2-3-5-19(18)25-20/h2-7,11,15,23H,8-10,12H2,1H3,(H,24,25)/t15-/m1/s1.
What are the key properties of (5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one?
(5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one has a molecular weight of 390.31 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one is sourced from PubChem (CID 159287330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).