N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine

C19H17FN4O — CID 75519005

IUPACN-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
SMILESFc1cccc2[nH]c(CN(Cc3cccnc3)Cc3ccco3)nc12
InChIInChI=1S/C19H17FN4O/c20-16-6-1-7-17-19(16)23-18(22-17)13-24(12-15-5-3-9-25-15)11-14-4-2-8-21-10-14/h1-10H,11-13H2,(H,22,23)
InChIKeyFTIPOKFDIDCVTN-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.89
Rot. Bonds6

About N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine

N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine (PubChem CID 75519005) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
PubChem CID75519005
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
SMILESFc1cccc2[nH]c(CN(Cc3cccnc3)Cc3ccco3)nc12
InChIInChI=1S/C19H17FN4O/c20-16-6-1-7-17-19(16)23-18(22-17)13-24(12-15-5-3-9-25-15)11-14-4-2-8-21-10-14/h1-10H,11-13H2,(H,22,23)
InChIKeyFTIPOKFDIDCVTN-UHFFFAOYSA-N
XLogP3.89
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97237374
N-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
CID 75399710
N-carbamoyl-2-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide
CID 75519007
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 75466914
4-fluoro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
CID 60977589
N-(furan-2-ylmethyl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 84599835
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 60523516
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
CID 86786255
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 46983929
N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine
CID 46989535
6,8-dibromo-2-[[(6,8-dibromo-4-oxo-3H-quinazolin-2-yl)methyl-(furan-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135812565

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine (CID 75519005) is N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine is Fc1cccc2[nH]c(CN(Cc3cccnc3)Cc3ccco3)nc12.
What is the InChIKey of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine?
The InChIKey is FTIPOKFDIDCVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-16-6-1-7-17-19(16)23-18(22-17)13-24(12-15-5-3-9-25-15)11-14-4-2-8-21-10-14/h1-10H,11-13H2,(H,22,23).
What are the key properties of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine?
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine has a molecular weight of 336.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 75519005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).