(E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine

C14H19FN4 — CID 168925062

IUPAC(E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine
SMILESC/C(=C\N)CCNCc1nc2c(F)cccc2n1C
InChIInChI=1S/C14H19FN4/c1-10(8-16)6-7-17-9-13-18-14-11(15)4-3-5-12(14)19(13)2/h3-5,8,17H,6-7,9,16H2,1-2H3/b10-8+
InChIKeyNWZOROYKMSFIKM-CSKARUKUSA-N
MW262.33 g/mol
LogP2.05
Rot. Bonds5

About (E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine

(E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine (PubChem CID 168925062) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is (E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine
PubChem CID168925062
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name(E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine
SMILESC/C(=C\N)CCNCc1nc2c(F)cccc2n1C
InChIInChI=1S/C14H19FN4/c1-10(8-16)6-7-17-9-13-18-14-11(15)4-3-5-12(14)19(13)2/h3-5,8,17H,6-7,9,16H2,1-2H3/b10-8+
InChIKeyNWZOROYKMSFIKM-CSKARUKUSA-N
XLogP2.05
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63065892
N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 168925054
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050
1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol
CID 79873477
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065547
N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63066063
4-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]butanoic acid
CID 122058454
4-[3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 119184720
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 95621264
2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
CID 114227019
2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976059

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine?
The IUPAC name of (E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine (CID 168925062) is (E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine.
What is the SMILES notation for (E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine?
The canonical SMILES for (E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine is C/C(=C\N)CCNCc1nc2c(F)cccc2n1C.
What is the InChIKey of (E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine?
The InChIKey is NWZOROYKMSFIKM-CSKARUKUSA-N. The full InChI is InChI=1S/C14H19FN4/c1-10(8-16)6-7-17-9-13-18-14-11(15)4-3-5-12(14)19(13)2/h3-5,8,17H,6-7,9,16H2,1-2H3/b10-8+.
What are the key properties of (E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine?
(E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine has a molecular weight of 262.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine is sourced from PubChem (CID 168925062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).