2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine

C16H17FN4 — CID 110170414

IUPAC2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine
SMILESCCNc1nc2ccc(NCc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C16H17FN4/c1-2-18-16-20-14-8-7-13(9-15(14)21-16)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10H2,1H3,(H2,18,20,21)
InChIKeyJZUIIHCAZJHCKN-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.75
Rot. Bonds5

About 2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine

2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine (PubChem CID 110170414) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine
PubChem CID110170414
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine
SMILESCCNc1nc2ccc(NCc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C16H17FN4/c1-2-18-16-20-14-8-7-13(9-15(14)21-16)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10H2,1H3,(H2,18,20,21)
InChIKeyJZUIIHCAZJHCKN-UHFFFAOYSA-N
XLogP3.75
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine
CID 162722217
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzoic acid
CID 65347579
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 82564325
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
CID 43791195
N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine
CID 91057864
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
N-[(4-fluorophenyl)methyl]-3-methyl-2H-indazol-5-amine
CID 70841013

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine?
The IUPAC name of 2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine (CID 110170414) is 2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine.
What is the SMILES notation for 2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine?
The canonical SMILES for 2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine is CCNc1nc2ccc(NCc3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of 2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine?
The InChIKey is JZUIIHCAZJHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-2-18-16-20-14-8-7-13(9-15(14)21-16)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10H2,1H3,(H2,18,20,21).
What are the key properties of 2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine?
2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine has a molecular weight of 284.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine is sourced from PubChem (CID 110170414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).