(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide

C22H23Cl2N3O — CID 93301248

IUPAC(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide
SMILESCCC[C@H](C(=O)NC1CC1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C22H23Cl2N3O/c1-2-5-20(22(28)25-16-10-11-16)27-19-7-4-3-6-18(19)26-21(27)12-14-8-9-15(23)13-17(14)24/h3-4,6-9,13,16,20H,2,5,10-12H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyQVILGCYYMITSBQ-HXUWFJFHSA-N
MW416.35 g/mol
LogP5.55
Rot. Bonds7

About (2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide

(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide (PubChem CID 93301248) has the molecular formula C22H23Cl2N3O and a molecular weight of 416.35 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide
PubChem CID93301248
Molecular FormulaC22H23Cl2N3O
Molecular Weight416.35 g/mol
Exact Mass415.12
IUPAC Name(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide
SMILESCCC[C@H](C(=O)NC1CC1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C22H23Cl2N3O/c1-2-5-20(22(28)25-16-10-11-16)27-19-7-4-3-6-18(19)26-21(27)12-14-8-9-15(23)13-17(14)24/h3-4,6-9,13,16,20H,2,5,10-12H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyQVILGCYYMITSBQ-HXUWFJFHSA-N
XLogP5.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.35
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide
CID 93301338
(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 93301252
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
(2S)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
CID 98391592
2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 42810631
(2S)-N-[(2R)-butan-2-yl]-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301604
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 93301259
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93300092
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 51066946
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 51066899
(2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide
CID 93301536
2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide
CID 51067007

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide (CID 93301248) is (2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide is CCC[C@H](C(=O)NC1CC1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21.
What is the InChIKey of (2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide?
The InChIKey is QVILGCYYMITSBQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23Cl2N3O/c1-2-5-20(22(28)25-16-10-11-16)27-19-7-4-3-6-18(19)26-21(27)12-14-8-9-15(23)13-17(14)24/h3-4,6-9,13,16,20H,2,5,10-12H2,1H3,(H,25,28)/t20-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide?
(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide has a molecular weight of 416.35 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide is sourced from PubChem (CID 93301248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).