7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine

C12H11FN4S — CID 112740692

IUPAC7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
SMILESCc1ncsc1Cn1c(N)nc2cccc(F)c21
InChIInChI=1S/C12H11FN4S/c1-7-10(18-6-15-7)5-17-11-8(13)3-2-4-9(11)16-12(17)14/h2-4,6H,5H2,1H3,(H2,14,16)
InChIKeyYCCVPPUIXDXKKZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.57
Rot. Bonds2

About 7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine

7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine (PubChem CID 112740692) has the molecular formula C12H11FN4S and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
PubChem CID112740692
Molecular FormulaC12H11FN4S
Molecular Weight262.31 g/mol
Exact Mass262.07
IUPAC Name7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
SMILESCc1ncsc1Cn1c(N)nc2cccc(F)c21
InChIInChI=1S/C12H11FN4S/c1-7-10(18-6-15-7)5-17-11-8(13)3-2-4-9(11)16-12(17)14/h2-4,6H,5H2,1H3,(H2,14,16)
InChIKeyYCCVPPUIXDXKKZ-UHFFFAOYSA-N
XLogP2.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79301839
5-[[2-(1-chloroethyl)-7-methylbenzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 115553473
2-ethyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazole-4-carboxylic acid
CID 115933362
1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine
CID 115552600
5-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 63280677
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine
CID 63284617
5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
CID 79294247
2-(1-chloroethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
CID 63281185
4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 115552449
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
5-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 63280502
7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 63295616

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine (CID 112740692) is 7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine is Cc1ncsc1Cn1c(N)nc2cccc(F)c21.
What is the InChIKey of 7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine?
The InChIKey is YCCVPPUIXDXKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4S/c1-7-10(18-6-15-7)5-17-11-8(13)3-2-4-9(11)16-12(17)14/h2-4,6H,5H2,1H3,(H2,14,16).
What are the key properties of 7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine?
7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine has a molecular weight of 262.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 112740692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).