(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

C21H21N5 — CID 92854396

IUPAC(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
SMILESCn1ccnc1[C@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H21N5/c1-25-13-12-22-21(25)20(18-8-4-2-5-9-18)23-14-17-15-24-26(16-17)19-10-6-3-7-11-19/h2-13,15-16,20,23H,14H2,1H3/t20-/m1/s1
InChIKeyMMCXIKQEUSLCOG-HXUWFJFHSA-N
MW343.43 g/mol
LogP3.48
Rot. Bonds6

About (1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine (PubChem CID 92854396) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is (1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
PubChem CID92854396
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
SMILESCn1ccnc1[C@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H21N5/c1-25-13-12-22-21(25)20(18-8-4-2-5-9-18)23-14-17-15-24-26(16-17)19-10-6-3-7-11-19/h2-13,15-16,20,23H,14H2,1H3/t20-/m1/s1
InChIKeyMMCXIKQEUSLCOG-HXUWFJFHSA-N
XLogP3.48
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61349832
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43703054
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 47613943
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
CID 62196925
(1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 92854374
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493
2-(4-methylphenyl)-2-[(1-phenylpyrazol-4-yl)methylamino]acetic acid
CID 86784996

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of (1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine (CID 92854396) is (1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for (1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for (1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine is Cn1ccnc1[C@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of (1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The InChIKey is MMCXIKQEUSLCOG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21N5/c1-25-13-12-22-21(25)20(18-8-4-2-5-9-18)23-14-17-15-24-26(16-17)19-10-6-3-7-11-19/h2-13,15-16,20,23H,14H2,1H3/t20-/m1/s1.
What are the key properties of (1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine has a molecular weight of 343.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 92854396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).