N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline

C15H16N4 — CID 55064678

IUPACN-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
SMILESCn1ccnc1CNc1cccc(-n2cccc2)c1
InChIInChI=1S/C15H16N4/c1-18-10-7-16-15(18)12-17-13-5-4-6-14(11-13)19-8-2-3-9-19/h2-11,17H,12H2,1H3
InChIKeyXPNCULOCZVMYGQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.82
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline

N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline (PubChem CID 55064678) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
PubChem CID55064678
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
SMILESCn1ccnc1CNc1cccc(-n2cccc2)c1
InChIInChI=1S/C15H16N4/c1-18-10-7-16-15(18)12-17-13-5-4-6-14(11-13)19-8-2-3-9-19/h2-11,17H,12H2,1H3
InChIKeyXPNCULOCZVMYGQ-UHFFFAOYSA-N
XLogP2.82
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 60694837
N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62350456
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 62357401
N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 62357094
N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 62761120
N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 54976273
N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline
CID 43732990
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 43733014
4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline (CID 55064678) is N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline is Cn1ccnc1CNc1cccc(-n2cccc2)c1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline?
The InChIKey is XPNCULOCZVMYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-18-10-7-16-15(18)12-17-13-5-4-6-14(11-13)19-8-2-3-9-19/h2-11,17H,12H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline?
N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline has a molecular weight of 252.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline is sourced from PubChem (CID 55064678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).