N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline

C17H17N3 — CID 12062920

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
SMILESCn1ccnc1C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N3/c1-20-13-12-18-17(20)16(14-8-4-2-5-9-14)19-15-10-6-3-7-11-15/h2-13,16,19H,1H3
InChIKeyWRMBGWFNZWVWOJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.62
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline

N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline (PubChem CID 12062920) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
PubChem CID12062920
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
SMILESCn1ccnc1C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N3/c1-20-13-12-18-17(20)16(14-8-4-2-5-9-14)19-15-10-6-3-7-11-15/h2-13,16,19H,1H3
InChIKeyWRMBGWFNZWVWOJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
CID 24541708
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 40792426
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine
CID 24541703
3,5-difluoro-4-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]benzonitrile
CID 51101929
3,5-difluoro-4-[[(S)-(1-methylimidazol-2-yl)-phenylmethyl]amino]benzonitrile
CID 94816378
2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 47164910
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine
CID 40789664
3,6-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72916824
3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 97205146
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 95188898
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline (CID 12062920) is N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline is Cn1ccnc1C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline?
The InChIKey is WRMBGWFNZWVWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-20-13-12-18-17(20)16(14-8-4-2-5-9-14)19-15-10-6-3-7-11-15/h2-13,16,19H,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline?
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline has a molecular weight of 263.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline is sourced from PubChem (CID 12062920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).