(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide

C22H23N7O — CID 6532793

IUPAC(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide
SMILESCc1nnnn1/C(=C\c1ccccc1)C(=O)NC(c1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C22H23N7O/c1-14(2)20(21-23-17-11-7-8-12-18(17)24-21)25-22(30)19(29-15(3)26-27-28-29)13-16-9-5-4-6-10-16/h4-14,20H,1-3H3,(H,23,24)(H,25,30)/b19-13-
InChIKeyOMUWGYDYDLBHMT-UYRXBGFRSA-N
MW401.47 g/mol
LogP3.37
Rot. Bonds6

About (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide

(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide (PubChem CID 6532793) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide
PubChem CID6532793
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide
SMILESCc1nnnn1/C(=C\c1ccccc1)C(=O)NC(c1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C22H23N7O/c1-14(2)20(21-23-17-11-7-8-12-18(17)24-21)25-22(30)19(29-15(3)26-27-28-29)13-16-9-5-4-6-10-16/h4-14,20H,1-3H3,(H,23,24)(H,25,30)/b19-13-
InChIKeyOMUWGYDYDLBHMT-UYRXBGFRSA-N
XLogP3.37
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide with MolForge

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 4898290
(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide
CID 60530217
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
(E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide
CID 8927995
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(tetrazol-1-yl)benzamide
CID 94058833
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-pyrazol-1-ylbutanamide
CID 71827916
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide (CID 6532793) is (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide is Cc1nnnn1/C(=C\c1ccccc1)C(=O)NC(c1nc2ccccc2[nH]1)C(C)C.
What is the InChIKey of (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide?
The InChIKey is OMUWGYDYDLBHMT-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14(2)20(21-23-17-11-7-8-12-18(17)24-21)25-22(30)19(29-15(3)26-27-28-29)13-16-9-5-4-6-10-16/h4-14,20H,1-3H3,(H,23,24)(H,25,30)/b19-13-.
What are the key properties of (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide?
(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide has a molecular weight of 401.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6532793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).