6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine

C16H23FN4 — CID 106620594

IUPAC6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine
SMILESCC(C)CN(CC1CCCN1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H23FN4/c1-11(2)9-21(10-13-4-3-7-18-13)16-19-14-6-5-12(17)8-15(14)20-16/h5-6,8,11,13,18H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyYYQORCCRADXIBF-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.92
Rot. Bonds5

About 6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine

6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine (PubChem CID 106620594) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine
PubChem CID106620594
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine
SMILESCC(C)CN(CC1CCCN1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H23FN4/c1-11(2)9-21(10-13-4-3-7-18-13)16-19-14-6-5-12(17)8-15(14)20-16/h5-6,8,11,13,18H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyYYQORCCRADXIBF-UHFFFAOYSA-N
XLogP2.92
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620736
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 106620694
N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106973354
4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107699282
4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136781024
N-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617279
N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
CID 103295600
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine
CID 106600093
N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605110
4-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609631
6-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620787
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106620669

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine (CID 106620594) is 6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine is CC(C)CN(CC1CCCN1)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine?
The InChIKey is YYQORCCRADXIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-11(2)9-21(10-13-4-3-7-18-13)16-19-14-6-5-12(17)8-15(14)20-16/h5-6,8,11,13,18H,3-4,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine?
6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine has a molecular weight of 290.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 106620594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).