N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide

C24H27N7O — CID 90926757

IUPACN-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
SMILESCCC(NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2nnnc2C(C)C)c1)c1ncc[nH]1
InChIInChI=1S/C24H27N7O/c1-5-21(22-25-10-11-26-22)27-24(32)19-12-18(17-8-6-16(4)7-9-17)13-20(14-19)31-23(15(2)3)28-29-30-31/h6-15,21H,5H2,1-4H3,(H,25,26)(H,27,32)
InChIKeyOBZXXESAWVDDFL-UHFFFAOYSA-N
MW429.53 g/mol
LogP4.37
Rot. Bonds7

About N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide

N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide (PubChem CID 90926757) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
PubChem CID90926757
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
SMILESCCC(NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2nnnc2C(C)C)c1)c1ncc[nH]1
InChIInChI=1S/C24H27N7O/c1-5-21(22-25-10-11-26-22)27-24(32)19-12-18(17-8-6-16(4)7-9-17)13-20(14-19)31-23(15(2)3)28-29-30-31/h6-15,21H,5H2,1-4H3,(H,25,26)(H,27,32)
InChIKeyOBZXXESAWVDDFL-UHFFFAOYSA-N
XLogP4.37
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90728432
3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 44600198
3-(5-propan-2-yltetrazol-1-yl)-5-(4-sulfanylphenyl)benzoic acid
CID 157474452
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide
CID 91341752
[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-(1,3-thiazol-2-ylmethyl)carbamate
CID 122635615
[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[(2-ethylpyrazol-3-yl)methyl]carbamate
CID 122635622
[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[(3S)-3-hydroxybutan-2-yl]carbamate
CID 122505843
3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide
CID 76643078
[3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[1-(1H-pyrazol-5-yl)ethyl]carbamate
CID 122635698
3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 91194653
N-[(2,4-dimethoxyphenyl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 42642507
3-[5-[(1S)-1-(dimethylamino)ethyl]-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(4-methylphenyl)benzamide
CID 91196234

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide (CID 90926757) is N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide is CCC(NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2nnnc2C(C)C)c1)c1ncc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The InChIKey is OBZXXESAWVDDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-5-21(22-25-10-11-26-22)27-24(32)19-12-18(17-8-6-16(4)7-9-17)13-20(14-19)31-23(15(2)3)28-29-30-31/h6-15,21H,5H2,1-4H3,(H,25,26)(H,27,32).
What are the key properties of N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide has a molecular weight of 429.53 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide is sourced from PubChem (CID 90926757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).