N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline

C14H14N4 — CID 54976273

IUPACN-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline
SMILESc1cc(NCc2ncc[nH]2)cc(-n2cccc2)c1
InChIInChI=1S/C14H14N4/c1-2-9-18(8-1)13-5-3-4-12(10-13)17-11-14-15-6-7-16-14/h1-10,17H,11H2,(H,15,16)
InChIKeyRQJNQAGHGRIDSR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.81
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline

N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline (PubChem CID 54976273) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline
PubChem CID54976273
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline
SMILESc1cc(NCc2ncc[nH]2)cc(-n2cccc2)c1
InChIInChI=1S/C14H14N4/c1-2-9-18(8-1)13-5-3-4-12(10-13)17-11-14-15-6-7-16-14/h1-10,17H,11H2,(H,15,16)
InChIKeyRQJNQAGHGRIDSR-UHFFFAOYSA-N
XLogP2.81
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 55064678
N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 62761120
3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline
CID 54976663
[3-(1H-imidazol-2-ylmethylamino)phenyl]urea
CID 54976227
N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline
CID 43732990
N-(1H-imidazol-2-ylmethyl)-3-(trifluoromethoxy)aniline
CID 54976604
N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 43733014
2-[3-(1H-imidazol-2-ylmethylamino)phenoxy]acetonitrile
CID 54976517
tert-butyl N-[3-(1H-imidazol-2-ylmethylamino)phenyl]carbamate
CID 107239900
N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide
CID 54976609
N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63667721
4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline
CID 62809674

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline (CID 54976273) is N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline is c1cc(NCc2ncc[nH]2)cc(-n2cccc2)c1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline?
The InChIKey is RQJNQAGHGRIDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-9-18(8-1)13-5-3-4-12(10-13)17-11-14-15-6-7-16-14/h1-10,17H,11H2,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline?
N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline has a molecular weight of 238.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline is sourced from PubChem (CID 54976273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).