[4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone

C21H23N5O — CID 166360696

IUPAC[4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone
SMILESNCc1cccc(-c2ccc(C(=O)N3CCN(c4ncc[nH]4)CC3)cc2)c1
InChIInChI=1S/C21H23N5O/c22-15-16-2-1-3-19(14-16)17-4-6-18(7-5-17)20(27)25-10-12-26(13-11-25)21-23-8-9-24-21/h1-9,14H,10-13,15,22H2,(H,23,24)
InChIKeyHMTGKFZFAOQOKF-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.50
Rot. Bonds4

About [4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone

[4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 166360696) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone
PubChem CID166360696
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone
SMILESNCc1cccc(-c2ccc(C(=O)N3CCN(c4ncc[nH]4)CC3)cc2)c1
InChIInChI=1S/C21H23N5O/c22-15-16-2-1-3-19(14-16)17-4-6-18(7-5-17)20(27)25-10-12-26(13-11-25)21-23-8-9-24-21/h1-9,14H,10-13,15,22H2,(H,23,24)
InChIKeyHMTGKFZFAOQOKF-UHFFFAOYSA-N
XLogP2.50
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 44565640
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950720
[3-[3-(aminomethyl)phenyl]phenyl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 167820696
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid
CID 74892517
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 77096390
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone (CID 166360696) is [4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone is NCc1cccc(-c2ccc(C(=O)N3CCN(c4ncc[nH]4)CC3)cc2)c1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is HMTGKFZFAOQOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-15-16-2-1-3-19(14-16)17-4-6-18(7-5-17)20(27)25-10-12-26(13-11-25)21-23-8-9-24-21/h1-9,14H,10-13,15,22H2,(H,23,24).
What are the key properties of [4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone?
[4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 166360696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).