1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine

C11H13F2N3 — CID 116839318

IUPAC1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine
SMILESCC(N)C(F)(F)c1ccc2c(c1)ncn2C
InChIInChI=1S/C11H13F2N3/c1-7(14)11(12,13)8-3-4-10-9(5-8)15-6-16(10)2/h3-7H,14H2,1-2H3
InChIKeyZWUXAFYWBBGYCW-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.01
Rot. Bonds2

About 1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine

1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine (PubChem CID 116839318) has the molecular formula C11H13F2N3 and a molecular weight of 225.24 g/mol. Its IUPAC name is 1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine
PubChem CID116839318
Molecular FormulaC11H13F2N3
Molecular Weight225.24 g/mol
Exact Mass225.11
IUPAC Name1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine
SMILESCC(N)C(F)(F)c1ccc2c(c1)ncn2C
InChIInChI=1S/C11H13F2N3/c1-7(14)11(12,13)8-3-4-10-9(5-8)15-6-16(10)2/h3-7H,14H2,1-2H3
InChIKeyZWUXAFYWBBGYCW-UHFFFAOYSA-N
XLogP2.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole
CID 116841728
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
4-(1-methylbenzimidazol-5-yl)butan-2-amine
CID 82491785
5-[difluoro(pyrrolidin-3-yl)methyl]-1-methylbenzimidazole
CID 116839115
3-amino-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116940438
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
1,5-dimethylbenzimidazole;ethene
CID 145318091
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
1-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115199334
2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]ethanethiol
CID 115224519

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine (CID 116839318) is 1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine is CC(N)C(F)(F)c1ccc2c(c1)ncn2C.
What is the InChIKey of 1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine?
The InChIKey is ZWUXAFYWBBGYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3/c1-7(14)11(12,13)8-3-4-10-9(5-8)15-6-16(10)2/h3-7H,14H2,1-2H3.
What are the key properties of 1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine?
1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine has a molecular weight of 225.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine is sourced from PubChem (CID 116839318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).