N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine

C16H16FN3 — CID 62121977

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCc3ccc(F)c(C)c3)cc2[nH]1
InChIInChI=1S/C16H16FN3/c1-10-7-12(3-5-14(10)17)9-18-13-4-6-15-16(8-13)20-11(2)19-15/h3-8,18H,9H2,1-2H3,(H,19,20)
InChIKeyMIKGXGCJGYJFIA-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.93
Rot. Bonds3

About N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine

N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine (PubChem CID 62121977) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
PubChem CID62121977
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCc3ccc(F)c(C)c3)cc2[nH]1
InChIInChI=1S/C16H16FN3/c1-10-7-12(3-5-14(10)17)9-18-13-4-6-15-16(8-13)20-11(2)19-15/h3-8,18H,9H2,1-2H3,(H,19,20)
InChIKeyMIKGXGCJGYJFIA-UHFFFAOYSA-N
XLogP3.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
N-[(4-fluoro-3-methylphenyl)methyl]-2H-benzotriazol-5-amine
CID 71845501
N-[(2-fluoro-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 103818702
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzoic acid
CID 65347579
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
CID 43791195
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746405
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
2-methyl-N-[(3-nitrophenyl)methyl]-3H-benzimidazol-5-amine
CID 43232967
2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine
CID 110170414
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzene-1,3-diol
CID 43746434
2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile
CID 55057726

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine (CID 62121977) is N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine is Cc1nc2ccc(NCc3ccc(F)c(C)c3)cc2[nH]1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is MIKGXGCJGYJFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-10-7-12(3-5-14(10)17)9-18-13-4-6-15-16(8-13)20-11(2)19-15/h3-8,18H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine?
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 269.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 62121977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).