1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine

C16H23FN4 — CID 103592949

IUPAC1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2CCN(C)C1CCCC1
InChIInChI=1S/C16H23FN4/c1-11-9-15-14(10-13(11)17)19-16(18)21(15)8-7-20(2)12-5-3-4-6-12/h9-10,12H,3-8H2,1-2H3,(H2,18,19)
InChIKeyDPDDORZQWYZTQG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.94
Rot. Bonds4

About 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine

1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine (PubChem CID 103592949) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine
PubChem CID103592949
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2CCN(C)C1CCCC1
InChIInChI=1S/C16H23FN4/c1-11-9-15-14(10-13(11)17)19-16(18)21(15)8-7-20(2)12-5-3-4-6-12/h9-10,12H,3-8H2,1-2H3,(H2,18,19)
InChIKeyDPDDORZQWYZTQG-UHFFFAOYSA-N
XLogP2.94
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-2-amine
CID 82359073
5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 103592850
3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 103593026
1-(3-butoxypropyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593135
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593147
5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
CID 103592868
5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816923
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 103592912
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 103593098
5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 103592941

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine (CID 103592949) is 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2CCN(C)C1CCCC1.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine?
The InChIKey is DPDDORZQWYZTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-11-9-15-14(10-13(11)17)19-16(18)21(15)8-7-20(2)12-5-3-4-6-12/h9-10,12H,3-8H2,1-2H3,(H2,18,19).
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine?
1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine has a molecular weight of 290.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103592949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).