N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

C16H15N3OS — CID 78910043

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C16H15N3OS/c1-11-6-7-12(21-11)8-9-16(20)17-10-15-18-13-4-2-3-5-14(13)19-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyVZPGDKQMFJHQLA-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.26
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 78910043) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID78910043
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C16H15N3OS/c1-11-6-7-12(21-11)8-9-16(20)17-10-15-18-13-4-2-3-5-14(13)19-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyVZPGDKQMFJHQLA-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
CID 71627908
(E)-N-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427455
N-(1H-benzimidazol-2-ylmethyl)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enamide
CID 78769816
N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 78769846
3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
N-(1H-benzimidazol-2-ylmethyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 78811558
(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 43389925
N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
CID 51205056
N-(1H-benzimidazol-2-ylmethyl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 78802016
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 5297506

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 78910043) is N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(C=CC(=O)NCc2nc3ccccc3[nH]2)s1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is VZPGDKQMFJHQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-6-7-12(21-11)8-9-16(20)17-10-15-18-13-4-2-3-5-14(13)19-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 297.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 78910043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).