1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide

C28H26N4O2 — CID 24660627

IUPAC1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nccn1C
InChIInChI=1S/C28H26N4O2/c1-31-17-16-29-27(31)26(22-13-7-9-15-25(22)34-2)30-28(33)23-19-32(18-20-10-4-3-5-11-20)24-14-8-6-12-21(23)24/h3-17,19,26H,18H2,1-2H3,(H,30,33)
InChIKeyLGRUVQGQKOSSQC-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.95
Rot. Bonds7

About 1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide

1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide (PubChem CID 24660627) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide
PubChem CID24660627
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nccn1C
InChIInChI=1S/C28H26N4O2/c1-31-17-16-29-27(31)26(22-13-7-9-15-25(22)34-2)30-28(33)23-19-32(18-20-10-4-3-5-11-20)24-14-8-6-12-21(23)24/h3-17,19,26H,18H2,1-2H3,(H,30,33)
InChIKeyLGRUVQGQKOSSQC-UHFFFAOYSA-N
XLogP4.95
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide
CID 24625616
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylpyridine-3-carboxamide
CID 16674232
2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide
CID 51728102
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55793501

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide (CID 24660627) is 1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide is COc1ccccc1C(NC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nccn1C.
What is the InChIKey of 1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide?
The InChIKey is LGRUVQGQKOSSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-31-17-16-29-27(31)26(22-13-7-9-15-25(22)34-2)30-28(33)23-19-32(18-20-10-4-3-5-11-20)24-14-8-6-12-21(23)24/h3-17,19,26H,18H2,1-2H3,(H,30,33).
What are the key properties of 1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide?
1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide is sourced from PubChem (CID 24660627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).