N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide

C17H17N3O2 — CID 110772965

IUPACN-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide
SMILESCOc1cccc(NC(=O)Cc2ccc3c(c2)ncn3C)c1
InChIInChI=1S/C17H17N3O2/c1-20-11-18-15-8-12(6-7-16(15)20)9-17(21)19-13-4-3-5-14(10-13)22-2/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKeyCRYISGKMIWCGLC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.76
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide

N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide (PubChem CID 110772965) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide
PubChem CID110772965
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide
SMILESCOc1cccc(NC(=O)Cc2ccc3c(c2)ncn3C)c1
InChIInChI=1S/C17H17N3O2/c1-20-11-18-15-8-12(6-7-16(15)20)9-17(21)19-13-4-3-5-14(10-13)22-2/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKeyCRYISGKMIWCGLC-UHFFFAOYSA-N
XLogP2.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate
CID 110772985
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide
CID 110744582
methyl 4-[2-(1-methylbenzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110803452
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide (CID 110772965) is N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide is COc1cccc(NC(=O)Cc2ccc3c(c2)ncn3C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide?
The InChIKey is CRYISGKMIWCGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20-11-18-15-8-12(6-7-16(15)20)9-17(21)19-13-4-3-5-14(10-13)22-2/h3-8,10-11H,9H2,1-2H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide?
N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110772965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).