N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine

C14H18FN3 — CID 60835697

IUPACN-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
SMILESCCCn1c(CNC2CC2)nc2cc(F)ccc21
InChIInChI=1S/C14H18FN3/c1-2-7-18-13-6-3-10(15)8-12(13)17-14(18)9-16-11-4-5-11/h3,6,8,11,16H,2,4-5,7,9H2,1H3
InChIKeyKMGRRKCVCKUTLE-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.84
Rot. Bonds5

About N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine

N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine (PubChem CID 60835697) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
PubChem CID60835697
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
SMILESCCCn1c(CNC2CC2)nc2cc(F)ccc21
InChIInChI=1S/C14H18FN3/c1-2-7-18-13-6-3-10(15)8-12(13)17-14(18)9-16-11-4-5-11/h3,6,8,11,16H,2,4-5,7,9H2,1H3
InChIKeyKMGRRKCVCKUTLE-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 62378276
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772507
4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
CID 62319804
N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 55068076
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 60836872
1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine
CID 119137487
(6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95336823
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014
2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80723234
1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one
CID 79872999
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine (CID 60835697) is N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine is CCCn1c(CNC2CC2)nc2cc(F)ccc21.
What is the InChIKey of N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine?
The InChIKey is KMGRRKCVCKUTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-2-7-18-13-6-3-10(15)8-12(13)17-14(18)9-16-11-4-5-11/h3,6,8,11,16H,2,4-5,7,9H2,1H3.
What are the key properties of N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine?
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine has a molecular weight of 247.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 60835697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).