N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine

C16H20FN3 — CID 60836872

IUPACN-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
SMILESFc1ccc2c(c1)nc(CNC1CCCC1)n2C1CC1
InChIInChI=1S/C16H20FN3/c17-11-5-8-15-14(9-11)19-16(20(15)13-6-7-13)10-18-12-3-1-2-4-12/h5,8-9,12-13,18H,1-4,6-7,10H2
InChIKeyDBMFSZRWMIEKKU-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.54
Rot. Bonds4

About N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine

N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine (PubChem CID 60836872) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
PubChem CID60836872
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC NameN-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
SMILESFc1ccc2c(c1)nc(CNC1CCCC1)n2C1CC1
InChIInChI=1S/C16H20FN3/c17-11-5-8-15-14(9-11)19-16(20(15)13-6-7-13)10-18-12-3-1-2-4-12/h5,8-9,12-13,18H,1-4,6-7,10H2
InChIKeyDBMFSZRWMIEKKU-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 55068076
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60835697
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline
CID 60785645
1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine
CID 55067892
2-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methylsulfanyl]acetic acid
CID 104570568
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784546
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine (CID 60836872) is N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine is Fc1ccc2c(c1)nc(CNC1CCCC1)n2C1CC1.
What is the InChIKey of N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine?
The InChIKey is DBMFSZRWMIEKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c17-11-5-8-15-14(9-11)19-16(20(15)13-6-7-13)10-18-12-3-1-2-4-12/h5,8-9,12-13,18H,1-4,6-7,10H2.
What are the key properties of N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine?
N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine has a molecular weight of 273.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 60836872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).