N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide

C13H11FN4O — CID 176708269

IUPACN-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide
SMILESO=C(NCc1[nH]c2ccccc2c1F)n1ccnc1
InChIInChI=1S/C13H11FN4O/c14-12-9-3-1-2-4-10(9)17-11(12)7-16-13(19)18-6-5-15-8-18/h1-6,8,17H,7H2,(H,16,19)
InChIKeyKRQNFMSDBNTVPV-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.26
Rot. Bonds2

About N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide

N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide (PubChem CID 176708269) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide
PubChem CID176708269
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC NameN-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide
SMILESO=C(NCc1[nH]c2ccccc2c1F)n1ccnc1
InChIInChI=1S/C13H11FN4O/c14-12-9-3-1-2-4-10(9)17-11(12)7-16-13(19)18-6-5-15-8-18/h1-6,8,17H,7H2,(H,16,19)
InChIKeyKRQNFMSDBNTVPV-UHFFFAOYSA-N
XLogP2.26
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-phenyl-1H-indol-2-yl)ethyl]imidazole-1-carboxamide
CID 10088020
N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide
CID 39869812
N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
CID 114332839
N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide
CID 81257132
N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 28818830
imidazol-1-yl(1H-indazol-3-yl)methanone
CID 10560470
N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 43566692
N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide
CID 81269387
N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide
CID 63295768
N-(2,3-difluorophenyl)imidazole-1-carboxamide
CID 81269096
N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide
CID 70927134
(3-fluoro-1H-indol-2-yl)methanamine
CID 83853699

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide?
The IUPAC name of N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide (CID 176708269) is N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide is O=C(NCc1[nH]c2ccccc2c1F)n1ccnc1.
What is the InChIKey of N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide?
The InChIKey is KRQNFMSDBNTVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-12-9-3-1-2-4-10(9)17-11(12)7-16-13(19)18-6-5-15-8-18/h1-6,8,17H,7H2,(H,16,19).
What are the key properties of N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide?
N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide has a molecular weight of 258.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide is sourced from PubChem (CID 176708269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).