N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline

C19H21N3O — CID 167101236

IUPACN-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline
SMILESC=C(CC)Nc1cccc(-c2nc3ccccc3n2C)c1OC
InChIInChI=1S/C19H21N3O/c1-5-13(2)20-16-11-8-9-14(18(16)23-4)19-21-15-10-6-7-12-17(15)22(19)3/h6-12,20H,2,5H2,1,3-4H3
InChIKeyNNPQBXUYADIEJV-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.58
Rot. Bonds5

About N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline

N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline (PubChem CID 167101236) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound NameN-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline
PubChem CID167101236
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline
SMILESC=C(CC)Nc1cccc(-c2nc3ccccc3n2C)c1OC
InChIInChI=1S/C19H21N3O/c1-5-13(2)20-16-11-8-9-14(18(16)23-4)19-21-15-10-6-7-12-17(15)22(19)3/h6-12,20H,2,5H2,1,3-4H3
InChIKeyNNPQBXUYADIEJV-UHFFFAOYSA-N
XLogP4.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline?
The IUPAC name of N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline (CID 167101236) is N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline.
What is the SMILES notation for N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline?
The canonical SMILES for N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline is C=C(CC)Nc1cccc(-c2nc3ccccc3n2C)c1OC.
What is the InChIKey of N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline?
The InChIKey is NNPQBXUYADIEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-5-13(2)20-16-11-8-9-14(18(16)23-4)19-21-15-10-6-7-12-17(15)22(19)3/h6-12,20H,2,5H2,1,3-4H3.
What are the key properties of N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline?
N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline has a molecular weight of 307.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-2-methoxy-3-(1-methylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 167101236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).