4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline

C17H16FN3 — CID 60785645

IUPAC4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline
SMILESNc1ccc(Cc2nc3cc(F)ccc3n2C2CC2)cc1
InChIInChI=1S/C17H16FN3/c18-12-3-8-16-15(10-12)20-17(21(16)14-6-7-14)9-11-1-4-13(19)5-2-11/h1-5,8,10,14H,6-7,9,19H2
InChIKeyRHDCLSFYIHHUJM-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.68
Rot. Bonds3

About 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline

4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline (PubChem CID 60785645) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline
PubChem CID60785645
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline
SMILESNc1ccc(Cc2nc3cc(F)ccc3n2C2CC2)cc1
InChIInChI=1S/C17H16FN3/c18-12-3-8-16-15(10-12)20-17(21(16)14-6-7-14)9-11-1-4-13(19)5-2-11/h1-5,8,10,14H,6-7,9,19H2
InChIKeyRHDCLSFYIHHUJM-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-cyclopropylbenzimidazol-5-amine
CID 82486059
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784546
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014
(2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine
CID 65037851
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 60836872
2-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methylsulfanyl]acetic acid
CID 104570568
4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62376570
5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546950
[1-cyclopropyl-2-(pyridin-3-ylmethyl)benzimidazol-5-yl]methanamine
CID 114290065

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline (CID 60785645) is 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline is Nc1ccc(Cc2nc3cc(F)ccc3n2C2CC2)cc1.
What is the InChIKey of 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline?
The InChIKey is RHDCLSFYIHHUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c18-12-3-8-16-15(10-12)20-17(21(16)14-6-7-14)9-11-1-4-13(19)5-2-11/h1-5,8,10,14H,6-7,9,19H2.
What are the key properties of 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline?
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline has a molecular weight of 281.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 60785645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).