2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide

C21H24ClN3O2 — CID 42810626

IUPAC2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide
SMILESCCC(C(=O)NCCOC)n1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C21H24ClN3O2/c1-3-18(21(26)23-12-13-27-2)25-19-11-7-6-10-17(19)24-20(25)14-15-8-4-5-9-16(15)22/h4-11,18H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyKLUOQXHPDBDWNY-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.99
Rot. Bonds8

About 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide

2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide (PubChem CID 42810626) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide
PubChem CID42810626
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide
SMILESCCC(C(=O)NCCOC)n1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C21H24ClN3O2/c1-3-18(21(26)23-12-13-27-2)25-19-11-7-6-10-17(19)24-20(25)14-15-8-4-5-9-16(15)22/h4-11,18H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyKLUOQXHPDBDWNY-UHFFFAOYSA-N
XLogP3.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 42810164
(2S)-N-[(2R)-butan-2-yl]-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301604
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 51066946
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 93301259
2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 42810631
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93300092
(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 93301422
(2S)-2-[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)butanamide
CID 93301530
(2S)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
CID 98391592
(2S)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)butanamide
CID 97037004
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide
CID 42810560

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide (CID 42810626) is 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide is CCC(C(=O)NCCOC)n1c(Cc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide?
The InChIKey is KLUOQXHPDBDWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-3-18(21(26)23-12-13-27-2)25-19-11-7-6-10-17(19)24-20(25)14-15-8-4-5-9-16(15)22/h4-11,18H,3,12-14H2,1-2H3,(H,23,26).
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide?
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide has a molecular weight of 385.90 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 42810626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).