(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide

C21H23N3O — CID 60530217

IUPAC(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide
SMILESC/C(=C/C(=O)NC(c1nc2ccccc2[nH]1)C(C)C)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-14(2)20(21-22-17-11-7-8-12-18(17)23-21)24-19(25)13-15(3)16-9-5-4-6-10-16/h4-14,20H,1-3H3,(H,22,23)(H,24,25)/b15-13-
InChIKeySOGMSAJEHBCLKP-SQFISAMPSA-N
MW333.44 g/mol
LogP4.48
Rot. Bonds5

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

(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide (PubChem CID 60530217) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide
PubChem CID60530217
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide
SMILESC/C(=C/C(=O)NC(c1nc2ccccc2[nH]1)C(C)C)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-14(2)20(21-22-17-11-7-8-12-18(17)23-21)24-19(25)13-15(3)16-9-5-4-6-10-16/h4-14,20H,1-3H3,(H,22,23)(H,24,25)/b15-13-
InChIKeySOGMSAJEHBCLKP-SQFISAMPSA-N
XLogP4.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide
CID 8927995
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
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
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
(E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 8927993
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
CID 51158118
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide
CID 4780870
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide?
The IUPAC name of (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide (CID 60530217) is (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide.
What is the SMILES notation for (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide?
The canonical SMILES for (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide is C/C(=C/C(=O)NC(c1nc2ccccc2[nH]1)C(C)C)c1ccccc1.
What is the InChIKey of (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide?
The InChIKey is SOGMSAJEHBCLKP-SQFISAMPSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14(2)20(21-22-17-11-7-8-12-18(17)23-21)24-19(25)13-15(3)16-9-5-4-6-10-16/h4-14,20H,1-3H3,(H,22,23)(H,24,25)/b15-13-.
What are the key properties of (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide?
(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide has a molecular weight of 333.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-phenylbut-2-enamide is sourced from PubChem (CID 60530217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).