N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine

C13H11FN4 — CID 133411151

IUPACN-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine
SMILESFc1cccnc1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C13H11FN4/c14-9-4-3-7-15-12(9)8-16-13-17-10-5-1-2-6-11(10)18-13/h1-7H,8H2,(H2,16,17,18)
InChIKeyRQZJVVWHYNLRDZ-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.71
Rot. Bonds3

About N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine

N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine (PubChem CID 133411151) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine
PubChem CID133411151
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine
SMILESFc1cccnc1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C13H11FN4/c14-9-4-3-7-15-12(9)8-16-13-17-10-5-1-2-6-11(10)18-13/h1-7H,8H2,(H2,16,17,18)
InChIKeyRQZJVVWHYNLRDZ-UHFFFAOYSA-N
XLogP2.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 141189433
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide
CID 152831666
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384228
N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 133410613
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine (CID 133411151) is N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine is Fc1cccnc1CNc1nc2ccccc2[nH]1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is RQZJVVWHYNLRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c14-9-4-3-7-15-12(9)8-16-13-17-10-5-1-2-6-11(10)18-13/h1-7H,8H2,(H2,16,17,18).
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine?
N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 242.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133411151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).