3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline

C15H19ClN4O — CID 75520639

IUPAC3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline
SMILESClc1cc(NCc2ncc[nH]2)ccc1CN1CCOCC1
InChIInChI=1S/C15H19ClN4O/c16-14-9-13(19-10-15-17-3-4-18-15)2-1-12(14)11-20-5-7-21-8-6-20/h1-4,9,19H,5-8,10-11H2,(H,17,18)
InChIKeyVXPVKUDOHFUMJP-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.51
Rot. Bonds5

About 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline

3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline (PubChem CID 75520639) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline
PubChem CID75520639
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline
SMILESClc1cc(NCc2ncc[nH]2)ccc1CN1CCOCC1
InChIInChI=1S/C15H19ClN4O/c16-14-9-13(19-10-15-17-3-4-18-15)2-1-12(14)11-20-5-7-21-8-6-20/h1-4,9,19H,5-8,10-11H2,(H,17,18)
InChIKeyVXPVKUDOHFUMJP-UHFFFAOYSA-N
XLogP2.51
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline?
The IUPAC name of 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline (CID 75520639) is 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline is Clc1cc(NCc2ncc[nH]2)ccc1CN1CCOCC1.
What is the InChIKey of 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline?
The InChIKey is VXPVKUDOHFUMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c16-14-9-13(19-10-15-17-3-4-18-15)2-1-12(14)11-20-5-7-21-8-6-20/h1-4,9,19H,5-8,10-11H2,(H,17,18).
What are the key properties of 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline?
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline has a molecular weight of 306.80 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 75520639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).