N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine

C14H16ClN3 — CID 24715477

IUPACN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESClc1cccc(Cn2ccnc2CNC2CC2)c1
InChIInChI=1S/C14H16ClN3/c15-12-3-1-2-11(8-12)10-18-7-6-16-14(18)9-17-13-4-5-13/h1-3,6-8,13,17H,4-5,9-10H2
InChIKeyQUCXIWBSEXCDPF-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.84
Rot. Bonds5

About N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 24715477) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
PubChem CID24715477
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESClc1cccc(Cn2ccnc2CNC2CC2)c1
InChIInChI=1S/C14H16ClN3/c15-12-3-1-2-11(8-12)10-18-7-6-16-14(18)9-17-13-4-5-13/h1-3,6-8,13,17H,4-5,9-10H2
InChIKeyQUCXIWBSEXCDPF-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 ≤ 500261.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 42818895
N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62222363
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62223052
5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile
CID 107883281
N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62735968
N-[[3-[(3-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66151383
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 144709444
N-[[1-[(2-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 55048857
1-[(3-chlorophenyl)methyl]-2-iodoimidazole
CID 131631931
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
1-[(1-benzylimidazol-2-yl)methyl]-3-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
CID 109462831

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine (CID 24715477) is N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine is Clc1cccc(Cn2ccnc2CNC2CC2)c1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is QUCXIWBSEXCDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-12-3-1-2-11(8-12)10-18-7-6-16-14(18)9-17-13-4-5-13/h1-3,6-8,13,17H,4-5,9-10H2.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 261.76 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-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 24715477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).