N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine

C20H25ClFN3 — CID 42695024

IUPACN-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine
SMILESFc1cccc(Cl)c1Cn1ccnc1CN(CC1CCCC1)C1CC1
InChIInChI=1S/C20H25ClFN3/c21-18-6-3-7-19(22)17(18)13-24-11-10-23-20(24)14-25(16-8-9-16)12-15-4-1-2-5-15/h3,6-7,10-11,15-16H,1-2,4-5,8-9,12-14H2
InChIKeyROIOLHWHJNFVRL-UHFFFAOYSA-N
MW361.89 g/mol
LogP4.88
Rot. Bonds7

About N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine

N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine (PubChem CID 42695024) has the molecular formula C20H25ClFN3 and a molecular weight of 361.89 g/mol. Its IUPAC name is N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine
PubChem CID42695024
Molecular FormulaC20H25ClFN3
Molecular Weight361.89 g/mol
Exact Mass361.17
IUPAC NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine
SMILESFc1cccc(Cl)c1Cn1ccnc1CN(CC1CCCC1)C1CC1
InChIInChI=1S/C20H25ClFN3/c21-18-6-3-7-19(22)17(18)13-24-11-10-23-20(24)14-25(16-8-9-16)12-15-4-1-2-5-15/h3,6-7,10-11,15-16H,1-2,4-5,8-9,12-14H2
InChIKeyROIOLHWHJNFVRL-UHFFFAOYSA-N
XLogP4.88
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-[(2-chloro-6-fluorophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346161
2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole
CID 82561893
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
CID 114561600
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea
CID 42819154
1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide
CID 123573230
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786
1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917911
N-(2-bromoethyl)-N-[(2-chloro-6-fluorophenyl)methyl]cyclopentanamine
CID 80673133
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine
CID 91833064
N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
CID 86940190
3-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclohexylmethyl)-1,2,4-oxadiazol-5-one;3-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one
CID 159522457

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine?
The IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine (CID 42695024) is N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine?
The canonical SMILES for N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine is Fc1cccc(Cl)c1Cn1ccnc1CN(CC1CCCC1)C1CC1.
What is the InChIKey of N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine?
The InChIKey is ROIOLHWHJNFVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3/c21-18-6-3-7-19(22)17(18)13-24-11-10-23-20(24)14-25(16-8-9-16)12-15-4-1-2-5-15/h3,6-7,10-11,15-16H,1-2,4-5,8-9,12-14H2.
What are the key properties of N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine?
N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine has a molecular weight of 361.89 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine is sourced from PubChem (CID 42695024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).