5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine

C19H18F3N5 — CID 175617953

IUPAC5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine
SMILESCNn1c(Nc2c[nH]c3ccc(C)c(F)c23)nc2cc(C(C)(F)F)ccc21
InChIInChI=1S/C19H18F3N5/c1-10-4-6-12-16(17(10)20)14(9-24-12)26-18-25-13-8-11(19(2,21)22)5-7-15(13)27(18)23-3/h4-9,23-24H,1-3H3,(H,25,26)
InChIKeyPLMONDLKLZEWET-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.99
Rot. Bonds4

About 5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine

5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine (PubChem CID 175617953) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine
PubChem CID175617953
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC Name5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine
SMILESCNn1c(Nc2c[nH]c3ccc(C)c(F)c23)nc2cc(C(C)(F)F)ccc21
InChIInChI=1S/C19H18F3N5/c1-10-4-6-12-16(17(10)20)14(9-24-12)26-18-25-13-8-11(19(2,21)22)5-7-15(13)27(18)23-3/h4-9,23-24H,1-3H3,(H,25,26)
InChIKeyPLMONDLKLZEWET-UHFFFAOYSA-N
XLogP4.99
TPSA57.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 156865281
(2R)-1-[2-[(5-chloro-1H-indol-3-yl)amino]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 167428607
5,6-dichloro-N-(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-1-propan-2-ylbenzimidazol-2-amine
CID 167428587
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CID 84654331
2-bromo-4-(1,1-difluoroethyl)-1-methylbenzene
CID 54772269
3-tert-butyl-4-fluoro-1,5-dimethylindazole
CID 126608557
5-(5-tert-butyl-2-methylanilino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one
CID 25227126
2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310550
N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide
CID 90719945
8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol
CID 11538242
5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole
CID 90275847
2,4-dimethyl-7-(trifluoromethyl)pyrido[1,2-a]benzimidazole
CID 142765912

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine?
The IUPAC name of 5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine (CID 175617953) is 5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine is CNn1c(Nc2c[nH]c3ccc(C)c(F)c23)nc2cc(C(C)(F)F)ccc21.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine?
The InChIKey is PLMONDLKLZEWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5/c1-10-4-6-12-16(17(10)20)14(9-24-12)26-18-25-13-8-11(19(2,21)22)5-7-15(13)27(18)23-3/h4-9,23-24H,1-3H3,(H,25,26).
What are the key properties of 5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine?
5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine has a molecular weight of 373.38 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-N-(4-fluoro-5-methyl-1H-indol-3-yl)-1-N-methylbenzimidazole-1,2-diamine is sourced from PubChem (CID 175617953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).