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

C21H24ClN3O — CID 17006374

IUPACN-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O/c1-3-15(4-2)21(26)23-13-20-24-18-11-7-8-12-19(18)25(20)14-16-9-5-6-10-17(16)22/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyHYUBSCUZCOHJBJ-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.79
Rot. Bonds7

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

N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide (PubChem CID 17006374) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
PubChem CID17006374
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O/c1-3-15(4-2)21(26)23-13-20-24-18-11-7-8-12-19(18)25(20)14-16-9-5-6-10-17(16)22/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyHYUBSCUZCOHJBJ-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006384
N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974719
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006380
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965555
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide
CID 16974712
N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988485
N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide
CID 17006351
2-ethyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]butanamide
CID 17006363
(Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970778
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 3160753
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 1293138

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide (CID 17006374) is N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide?
The InChIKey is HYUBSCUZCOHJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-3-15(4-2)21(26)23-13-20-24-18-11-7-8-12-19(18)25(20)14-16-9-5-6-10-17(16)22/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide?
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide has a molecular weight of 369.90 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 17006374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).