2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole

C21H22FN3 — CID 141173101

IUPAC2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole
SMILESFc1cc(C2CCCN2CC2CC2)ccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H22FN3/c22-17-12-15(20-6-3-11-25(20)13-14-7-8-14)9-10-16(17)21-23-18-4-1-2-5-19(18)24-21/h1-2,4-5,9-10,12,14,20H,3,6-8,11,13H2,(H,23,24)
InChIKeyUTOMOFJGNOLFDL-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.92
Rot. Bonds4

About 2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole

2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole (PubChem CID 141173101) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole
PubChem CID141173101
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole
SMILESFc1cc(C2CCCN2CC2CC2)ccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H22FN3/c22-17-12-15(20-6-3-11-25(20)13-14-7-8-14)9-10-16(17)21-23-18-4-1-2-5-19(18)24-21/h1-2,4-5,9-10,12,14,20H,3,6-8,11,13H2,(H,23,24)
InChIKeyUTOMOFJGNOLFDL-UHFFFAOYSA-N
XLogP4.92
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-[2-fluoro-4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole
CID 141173096
2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole
CID 175651550
4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119930248
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99958850
4-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 77097504
2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
CID 119931465
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-phenyl-1-(piperidin-4-ylmethyl)piperidine
CID 120847720
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 119930010
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 56897456

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole (CID 141173101) is 2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole is Fc1cc(C2CCCN2CC2CC2)ccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole?
The InChIKey is UTOMOFJGNOLFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c22-17-12-15(20-6-3-11-25(20)13-14-7-8-14)9-10-16(17)21-23-18-4-1-2-5-19(18)24-21/h1-2,4-5,9-10,12,14,20H,3,6-8,11,13H2,(H,23,24).
What are the key properties of 2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole?
2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole has a molecular weight of 335.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-2-fluorophenyl]-1H-benzimidazole is sourced from PubChem (CID 141173101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).