(2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide

C18H17Cl2N3O — CID 130467580

IUPAC(2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
SMILESC[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H17Cl2N3O/c1-11(8-12-6-7-13(19)9-14(12)20)18(24)21-10-17-22-15-4-2-3-5-16(15)23-17/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H,22,23)/t11-/m0/s1
InChIKeyKCLSLPADLBSFMU-NSHDSACASA-N
MW362.26 g/mol
LogP4.36
Rot. Bonds5

About (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide

(2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide (PubChem CID 130467580) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
PubChem CID130467580
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name(2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
SMILESC[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H17Cl2N3O/c1-11(8-12-6-7-13(19)9-14(12)20)18(24)21-10-17-22-15-4-2-3-5-16(15)23-17/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H,22,23)/t11-/m0/s1
InChIKeyKCLSLPADLBSFMU-NSHDSACASA-N
XLogP4.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(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-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 17410884
(5R)-1-(1H-benzimidazol-2-yl)-6-(2,4-dichlorophenyl)-5-(methylamino)hexan-3-one
CID 159287330
N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 78913569
N-(1H-benzimidazol-2-ylmethyl)-2-methylsulfonylpropanamide
CID 112684952
3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
CID 119503882
N-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)acetamide
CID 2678955
N-(2-amino-2-methylpropyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119630154
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
CID 78769893
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119529441

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide?
The IUPAC name of (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide (CID 130467580) is (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide.
What is the SMILES notation for (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide?
The canonical SMILES for (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide is C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide?
The InChIKey is KCLSLPADLBSFMU-NSHDSACASA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-11(8-12-6-7-13(19)9-14(12)20)18(24)21-10-17-22-15-4-2-3-5-16(15)23-17/h2-7,9,11H,8,10H2,1H3,(H,21,24)(H,22,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide?
(2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide has a molecular weight of 362.26 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 130467580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).