N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide

C21H25N3O3 — CID 4963983

IUPACN-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide
SMILESCCCCC(NC(=O)c1c(OC)cccc1OC)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H25N3O3/c1-4-5-9-16(20-22-14-10-6-7-11-15(14)23-20)24-21(25)19-17(26-2)12-8-13-18(19)27-3/h6-8,10-13,16H,4-5,9H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyKBZJAOLEKSHKTN-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.24
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide

N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide (PubChem CID 4963983) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide
PubChem CID4963983
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide
SMILESCCCCC(NC(=O)c1c(OC)cccc1OC)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H25N3O3/c1-4-5-9-16(20-22-14-10-6-7-11-15(14)23-20)24-21(25)19-17(26-2)12-8-13-18(19)27-3/h6-8,10-13,16H,4-5,9H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyKBZJAOLEKSHKTN-UHFFFAOYSA-N
XLogP4.24
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)pentyl]acetamide
CID 4652021
N-[1-(1H-benzimidazol-2-yl)propyl]-2-(2-methoxyphenoxy)acetamide
CID 56824045
N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide
CID 948873
N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide
CID 3484106
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2-methoxyphenyl)acetamide
CID 3389323
N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide
CID 166563053
N-[1-(1H-benzimidazol-2-yl)butyl]-3-nitrobenzamide
CID 4300836
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]hexanamide
CID 46603847
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 75489715
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-methoxy-5-sulfamoylbenzamide
CID 41153080
N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide
CID 142932537
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(2-ethoxyphenoxy)butanamide
CID 42908100

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide (CID 4963983) is N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide is CCCCC(NC(=O)c1c(OC)cccc1OC)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide?
The InChIKey is KBZJAOLEKSHKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-5-9-16(20-22-14-10-6-7-11-15(14)23-20)24-21(25)19-17(26-2)12-8-13-18(19)27-3/h6-8,10-13,16H,4-5,9H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide?
N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide has a molecular weight of 367.45 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 4963983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).