N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine

C16H15ClFN3 — CID 43746343

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC(C)c3ccc(F)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C16H15ClFN3/c1-9(11-3-5-14(18)13(17)7-11)19-12-4-6-15-16(8-12)21-10(2)20-15/h3-9,19H,1-2H3,(H,20,21)
InChIKeyFQKFGZQVWKWEPC-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.84
Rot. Bonds3

About N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine

N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine (PubChem CID 43746343) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
PubChem CID43746343
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC(C)c3ccc(F)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C16H15ClFN3/c1-9(11-3-5-14(18)13(17)7-11)19-12-4-6-15-16(8-12)21-10(2)20-15/h3-9,19H,1-2H3,(H,20,21)
InChIKeyFQKFGZQVWKWEPC-UHFFFAOYSA-N
XLogP4.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746480
N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine
CID 62636651
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107700001
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine
CID 63991681
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline
CID 43102207
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381
N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine
CID 115929031
4-[1-(3-chloro-4-fluorophenyl)ethylamino]benzoic acid
CID 43321605

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine (CID 43746343) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine is Cc1nc2ccc(NC(C)c3ccc(F)c(Cl)c3)cc2[nH]1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is FQKFGZQVWKWEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-9(11-3-5-14(18)13(17)7-11)19-12-4-6-15-16(8-12)21-10(2)20-15/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 303.77 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 43746343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).