N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide

C25H23N5O — CID 53007704

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCc1ccc(Cn2nnc3cc(C(=O)NCCc4c[nH]c5ccccc45)ccc32)cc1
InChIInChI=1S/C25H23N5O/c1-17-6-8-18(9-7-17)16-30-24-11-10-19(14-23(24)28-29-30)25(31)26-13-12-20-15-27-22-5-3-2-4-21(20)22/h2-11,14-15,27H,12-13,16H2,1H3,(H,26,31)
InChIKeyWEUMJTYBQUFXLK-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.24
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide (PubChem CID 53007704) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
PubChem CID53007704
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCc1ccc(Cn2nnc3cc(C(=O)NCCc4c[nH]c5ccccc45)ccc32)cc1
InChIInChI=1S/C25H23N5O/c1-17-6-8-18(9-7-17)16-30-24-11-10-19(14-23(24)28-29-30)25(31)26-13-12-20-15-27-22-5-3-2-4-21(20)22/h2-11,14-15,27H,12-13,16H2,1H3,(H,26,31)
InChIKeyWEUMJTYBQUFXLK-UHFFFAOYSA-N
XLogP4.24
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176
N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256233
N-[2-(1H-indol-3-yl)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155968
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111478
N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111456
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766514
N-ethyl-1-[(4-fluorophenyl)methyl]benzotriazole-5-carboxamide
CID 53111432
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
4-(benzotriazol-1-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9088736

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide (CID 53007704) is N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide is Cc1ccc(Cn2nnc3cc(C(=O)NCCc4c[nH]c5ccccc45)ccc32)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The InChIKey is WEUMJTYBQUFXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-17-6-8-18(9-7-17)16-30-24-11-10-19(14-23(24)28-29-30)25(31)26-13-12-20-15-27-22-5-3-2-4-21(20)22/h2-11,14-15,27H,12-13,16H2,1H3,(H,26,31).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53007704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).