(1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine

C20H26FN3 — CID 67214443

IUPAC(1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine
SMILESFc1ccc(-c2cnc([C@@H](NCC3CC3)C3CCCCC3)[nH]2)cc1
InChIInChI=1S/C20H26FN3/c21-17-10-8-15(9-11-17)18-13-23-20(24-18)19(22-12-14-6-7-14)16-4-2-1-3-5-16/h8-11,13-14,16,19,22H,1-7,12H2,(H,23,24)/t19-/m0/s1
InChIKeyJYBWBVUBFXDDGD-IBGZPJMESA-N
MW327.45 g/mol
LogP4.84
Rot. Bonds6

About (1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine

(1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine (PubChem CID 67214443) has the molecular formula C20H26FN3 and a molecular weight of 327.45 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine
PubChem CID67214443
Molecular FormulaC20H26FN3
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Name(1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine
SMILESFc1ccc(-c2cnc([C@@H](NCC3CC3)C3CCCCC3)[nH]2)cc1
InChIInChI=1S/C20H26FN3/c21-17-10-8-15(9-11-17)18-13-23-20(24-18)19(22-12-14-6-7-14)16-4-2-1-3-5-16/h8-11,13-14,16,19,22H,1-7,12H2,(H,23,24)/t19-/m0/s1
InChIKeyJYBWBVUBFXDDGD-IBGZPJMESA-N
XLogP4.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine (CID 67214443) is (1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine is Fc1ccc(-c2cnc([C@@H](NCC3CC3)C3CCCCC3)[nH]2)cc1.
What is the InChIKey of (1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine?
The InChIKey is JYBWBVUBFXDDGD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26FN3/c21-17-10-8-15(9-11-17)18-13-23-20(24-18)19(22-12-14-6-7-14)16-4-2-1-3-5-16/h8-11,13-14,16,19,22H,1-7,12H2,(H,23,24)/t19-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine?
(1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine has a molecular weight of 327.45 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 67214443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).