1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine

C15H14FN3 — CID 924376

IUPAC1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
SMILESCCn1c(Nc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C15H14FN3/c1-2-19-14-6-4-3-5-13(14)18-15(19)17-12-9-7-11(16)8-10-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyXDUQHEMSPKPLJX-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.94
Rot. Bonds3

About 1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine

1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine (PubChem CID 924376) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
PubChem CID924376
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
SMILESCCn1c(Nc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C15H14FN3/c1-2-19-14-6-4-3-5-13(14)18-15(19)17-12-9-7-11(16)8-10-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyXDUQHEMSPKPLJX-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445
N,1-bis(4-fluorophenyl)benzimidazol-2-amine
CID 71472918
2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine
CID 91927564
4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
2-(diethylaminomethyl)-5-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]phenol
CID 164609499
2-(2-anilinobenzimidazol-1-yl)ethanethiol
CID 135270626
4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine
CID 4697855
N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine
CID 4697797
2-(2-anilinobenzimidazol-1-yl)acetic acid
CID 15944452
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103825866
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine?
The IUPAC name of 1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine (CID 924376) is 1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine?
The canonical SMILES for 1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine is CCn1c(Nc2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine?
The InChIKey is XDUQHEMSPKPLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-2-19-14-6-4-3-5-13(14)18-15(19)17-12-9-7-11(16)8-10-12/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of 1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine?
1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine has a molecular weight of 255.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 924376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).