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

C17H16Cl2N4O — CID 130448110

IUPAC(2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide
SMILESN[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16Cl2N4O/c18-11-6-5-10(12(19)8-11)7-13(20)17(24)21-9-16-22-14-3-1-2-4-15(14)23-16/h1-6,8,13H,7,9,20H2,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyRFNDYYWFVONHAC-ZDUSSCGKSA-N
MW363.25 g/mol
LogP3.06
Rot. Bonds5

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

(2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide (PubChem CID 130448110) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide
PubChem CID130448110
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name(2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide
SMILESN[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16Cl2N4O/c18-11-6-5-10(12(19)8-11)7-13(20)17(24)21-9-16-22-14-3-1-2-4-15(14)23-16/h1-6,8,13H,7,9,20H2,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyRFNDYYWFVONHAC-ZDUSSCGKSA-N
XLogP3.06
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide
CID 118878691
(2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
CID 130467580
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-yl)-2-(2,4-dichlorophenyl)acetamide
CID 2678955
(2R)-2-amino-N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 154912209
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
CID 78769893
N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 78913569
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-2-nitrobenzamide
CID 18105058
N-(1H-benzimidazol-2-ylmethyl)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 66526676
N-(1H-benzimidazol-2-ylmethyl)-2-methylsulfonylpropanamide
CID 112684952
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide
CID 105055625

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide (CID 130448110) is (2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide is N[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of (2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide?
The InChIKey is RFNDYYWFVONHAC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c18-11-6-5-10(12(19)8-11)7-13(20)17(24)21-9-16-22-14-3-1-2-4-15(14)23-16/h1-6,8,13H,7,9,20H2,(H,21,24)(H,22,23)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide?
(2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide has a molecular weight of 363.25 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 130448110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).