N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine

C14H11F2N3 — CID 63795518

IUPACN-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
SMILESFc1ccc(F)c(CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H11F2N3/c15-10-5-6-11(16)9(7-10)8-17-14-18-12-3-1-2-4-13(12)19-14/h1-7H,8H2,(H2,17,18,19)
InChIKeyMSRIERLJFSYPFU-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.45
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine

N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine (PubChem CID 63795518) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
PubChem CID63795518
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
SMILESFc1ccc(F)c(CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H11F2N3/c15-10-5-6-11(16)9(7-10)8-17-14-18-12-3-1-2-4-13(12)19-14/h1-7H,8H2,(H2,17,18,19)
InChIKeyMSRIERLJFSYPFU-UHFFFAOYSA-N
XLogP3.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 133410613
6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82564403
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294770
N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-[(2,4-dimethylphenyl)methyl]-1H-benzimidazol-2-amine
CID 115143837
N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine
CID 133411151
N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410366
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82563008
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
CID 82563097
N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine
CID 133409971

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine (CID 63795518) is N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine is Fc1ccc(F)c(CNc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is MSRIERLJFSYPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-10-5-6-11(16)9(7-10)8-17-14-18-12-3-1-2-4-13(12)19-14/h1-7H,8H2,(H2,17,18,19).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine?
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 259.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 63795518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).