ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate

C18H16N2O2 — CID 54081017

IUPACethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-3-22-18(21)13(2)17-19-15-11-7-8-12-16(15)20(17)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3
InChIKeyMNCSJTLTFVLKDO-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.60
Rot. Bonds4

About ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate

ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate (PubChem CID 54081017) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate
PubChem CID54081017
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Nameethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-3-22-18(21)13(2)17-19-15-11-7-8-12-16(15)20(17)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3
InChIKeyMNCSJTLTFVLKDO-UHFFFAOYSA-N
XLogP3.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate 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

methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate
CID 175536518
(Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine
CID 142296211
(Z)-4-hydroxy-3-[1-(4-methylphenyl)benzimidazol-2-yl]pent-3-en-2-one
CID 177393111
1-phenyl-2-propoxybenzimidazole
CID 67816622
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
ethyl 2-[4-(2-ethylbenzimidazol-1-yl)phenyl]propanoate
CID 91163967
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid
CID 119206156
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
CID 43470482
N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 109388365
[[cyano-(1-phenylbenzimidazol-2-yl)methylidene]amino] methanesulfonate
CID 123337344

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate?
The IUPAC name of ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate (CID 54081017) is ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate is C=C(C(=O)OCC)c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate?
The InChIKey is MNCSJTLTFVLKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-3-22-18(21)13(2)17-19-15-11-7-8-12-16(15)20(17)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3.
What are the key properties of ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate?
ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate has a molecular weight of 292.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate is sourced from PubChem (CID 54081017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).