N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine

C14H19ClFN3 — CID 107156214

IUPACN-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine
SMILESCC(C)(C)CC(Cl)CNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H19ClFN3/c1-14(2,3)7-9(15)8-17-13-18-11-5-4-10(16)6-12(11)19-13/h4-6,9H,7-8H2,1-3H3,(H2,17,18,19)
InChIKeyQPAWGZQSYRPWBQ-UHFFFAOYSA-N
MW283.78 g/mol
LogP4.16
Rot. Bonds4

About N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine

N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine (PubChem CID 107156214) has the molecular formula C14H19ClFN3 and a molecular weight of 283.78 g/mol. Its IUPAC name is N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine
PubChem CID107156214
Molecular FormulaC14H19ClFN3
Molecular Weight283.78 g/mol
Exact Mass283.13
IUPAC NameN-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine
SMILESCC(C)(C)CC(Cl)CNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H19ClFN3/c1-14(2,3)7-9(15)8-17-13-18-11-5-4-10(16)6-12(11)19-13/h4-6,9H,7-8H2,1-3H3,(H2,17,18,19)
InChIKeyQPAWGZQSYRPWBQ-UHFFFAOYSA-N
XLogP4.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
N-(4-chloro-2-ethylbutyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295597
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-fluoro-1H-benzimidazol-2-amine
CID 114010827
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine
CID 103294950
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294770
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091
6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103295035

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine (CID 107156214) is N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine is CC(C)(C)CC(Cl)CNc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine?
The InChIKey is QPAWGZQSYRPWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3/c1-14(2,3)7-9(15)8-17-13-18-11-5-4-10(16)6-12(11)19-13/h4-6,9H,7-8H2,1-3H3,(H2,17,18,19).
What are the key properties of N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine?
N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine has a molecular weight of 283.78 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 107156214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).