2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine

C19H21N3 — CID 134084319

IUPAC2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine
SMILESC=CCn1c(CNCCc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H21N3/c1-2-14-22-18-11-7-6-10-17(18)21-19(22)15-20-13-12-16-8-4-3-5-9-16/h2-11,20H,1,12-15H2
InChIKeyHRXLXRFJJFGOBK-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.55
Rot. Bonds7

About 2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine

2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine (PubChem CID 134084319) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine
PubChem CID134084319
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine
SMILESC=CCn1c(CNCCc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H21N3/c1-2-14-22-18-11-7-6-10-17(18)21-19(22)15-20-13-12-16-8-4-3-5-9-16/h2-11,20H,1,12-15H2
InChIKeyHRXLXRFJJFGOBK-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine
CID 134084304
N-methyl-1-(1-prop-2-enylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 122236315
2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide
CID 17006187
N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine
CID 134084343
2-(4-bromophenyl)-N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]ethanamine
CID 134084368
N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine
CID 134084344
2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide
CID 955336
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986702
N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]formamide
CID 2992201
2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
2-(2-methylphenyl)-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]acetamide
CID 16979071
4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
CID 2975742

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine (CID 134084319) is 2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine is C=CCn1c(CNCCc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is HRXLXRFJJFGOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-2-14-22-18-11-7-6-10-17(18)21-19(22)15-20-13-12-16-8-4-3-5-9-16/h2-11,20H,1,12-15H2.
What are the key properties of 2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine?
2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 291.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 134084319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).