2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

C24H31N3O2 — CID 17001797

IUPAC2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCOc1cccc(-c2nc3ccccc3n2CC(=O)N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C24H31N3O2/c1-17(2)14-26(15-18(3)4)23(28)16-27-22-12-7-6-11-21(22)25-24(27)19-9-8-10-20(13-19)29-5/h6-13,17-18H,14-16H2,1-5H3
InChIKeyVVQSSVLAUOLRHQ-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.85
Rot. Bonds8

About 2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 17001797) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID17001797
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCOc1cccc(-c2nc3ccccc3n2CC(=O)N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C24H31N3O2/c1-17(2)14-26(15-18(3)4)23(28)16-27-22-12-7-6-11-21(22)25-24(27)19-9-8-10-20(13-19)29-5/h6-13,17-18H,14-16H2,1-5H3
InChIKeyVVQSSVLAUOLRHQ-UHFFFAOYSA-N
XLogP4.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17001793
N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17001798
2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 19243215
2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032912
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17001917
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999427
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999311
N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008648
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001717
3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propanethioamide
CID 94756511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (CID 17001797) is 2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is COc1cccc(-c2nc3ccccc3n2CC(=O)N(CC(C)C)CC(C)C)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is VVQSSVLAUOLRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17(2)14-26(15-18(3)4)23(28)16-27-22-12-7-6-11-21(22)25-24(27)19-9-8-10-20(13-19)29-5/h6-13,17-18H,14-16H2,1-5H3.
What are the key properties of 2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 17001797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).