N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide

C24H31N3O2 — CID 16976194

IUPACN-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
SMILESCCCCCCCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C24H31N3O2/c1-3-4-5-6-11-18-27-21-14-9-8-13-20(21)26-23(27)16-17-25-24(28)19-12-7-10-15-22(19)29-2/h7-10,12-15H,3-6,11,16-18H2,1-2H3,(H,25,28)
InChIKeyQJZGNGURRRBSKX-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.99
Rot. Bonds11

About N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide

N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide (PubChem CID 16976194) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
PubChem CID16976194
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
SMILESCCCCCCCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C24H31N3O2/c1-3-4-5-6-11-18-27-21-14-9-8-13-20(21)26-23(27)16-17-25-24(28)19-12-7-10-15-22(19)29-2/h7-10,12-15H,3-6,11,16-18H2,1-2H3,(H,25,28)
InChIKeyQJZGNGURRRBSKX-UHFFFAOYSA-N
XLogP4.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.99
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

2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide
CID 16990090
2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990094
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 16976831
4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990191
methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976330
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976257
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976315
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide (CID 16976194) is N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide is CCCCCCCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide?
The InChIKey is QJZGNGURRRBSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-4-5-6-11-18-27-21-14-9-8-13-20(21)26-23(27)16-17-25-24(28)19-12-7-10-15-22(19)29-2/h7-10,12-15H,3-6,11,16-18H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide?
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide has a molecular weight of 393.53 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 16976194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).