N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

C22H25N7OS — CID 4898290

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccc(-n2nnnc2SC(C)C(=O)NC(c2nc3ccccc3[nH]2)C(C)C)cc1
InChIInChI=1S/C22H25N7OS/c1-13(2)19(20-23-17-7-5-6-8-18(17)24-20)25-21(30)15(4)31-22-26-27-28-29(22)16-11-9-14(3)10-12-16/h5-13,15,19H,1-4H3,(H,23,24)(H,25,30)
InChIKeyZXIJECBTRZNIJV-UHFFFAOYSA-N
MW435.56 g/mol
LogP3.84
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 4898290) has the molecular formula C22H25N7OS and a molecular weight of 435.56 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID4898290
Molecular FormulaC22H25N7OS
Molecular Weight435.56 g/mol
Exact Mass435.18
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccc(-n2nnnc2SC(C)C(=O)NC(c2nc3ccccc3[nH]2)C(C)C)cc1
InChIInChI=1S/C22H25N7OS/c1-13(2)19(20-23-17-7-5-6-8-18(17)24-20)25-21(30)15(4)31-22-26-27-28-29(22)16-11-9-14(3)10-12-16/h5-13,15,19H,1-4H3,(H,23,24)(H,25,30)
InChIKeyZXIJECBTRZNIJV-UHFFFAOYSA-N
XLogP3.84
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 41312479
(2S)-1-(2-methyl-1H-indol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 9407831
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7474000
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
(2R)-N-(4-acetamidophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464631
(2R)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanoate
CID 9484215
(2S)-N-[(4-methylphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274463
(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide
CID 6532793
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
(2R)-N-(4-cyanophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9407792
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(tetrazol-1-yl)benzamide
CID 94058833

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 4898290) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is Cc1ccc(-n2nnnc2SC(C)C(=O)NC(c2nc3ccccc3[nH]2)C(C)C)cc1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is ZXIJECBTRZNIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7OS/c1-13(2)19(20-23-17-7-5-6-8-18(17)24-20)25-21(30)15(4)31-22-26-27-28-29(22)16-11-9-14(3)10-12-16/h5-13,15,19H,1-4H3,(H,23,24)(H,25,30).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 435.56 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 4898290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).