4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide

C16H22N4O — CID 120564401

IUPAC4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C16H22N4O/c1-13(17)6-7-16(21)19-10-14-4-2-3-5-15(14)11-20-9-8-18-12-20/h2-5,8-9,12-13H,6-7,10-11,17H2,1H3,(H,19,21)
InChIKeyIJLMAEHBWPWFEE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.67
Rot. Bonds7

About 4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide

4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide (PubChem CID 120564401) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
PubChem CID120564401
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C16H22N4O/c1-13(17)6-7-16(21)19-10-14-4-2-3-5-15(14)11-20-9-8-18-12-20/h2-5,8-9,12-13H,6-7,10-11,17H2,1H3,(H,19,21)
InChIKeyIJLMAEHBWPWFEE-UHFFFAOYSA-N
XLogP1.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-aminopentanoylamino)methyl]phenyl]acetic acid
CID 81317700
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55475943
4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
CID 120565155
2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119838755
N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55475580
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide
CID 55507398
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564545
methyl 3-[2-(imidazol-1-ylmethyl)phenyl]-2-methyl-3-oxopropanoate
CID 134280288
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide?
The IUPAC name of 4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide (CID 120564401) is 4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide is CC(N)CCC(=O)NCc1ccccc1Cn1ccnc1.
What is the InChIKey of 4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide?
The InChIKey is IJLMAEHBWPWFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(17)6-7-16(21)19-10-14-4-2-3-5-15(14)11-20-9-8-18-12-20/h2-5,8-9,12-13H,6-7,10-11,17H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide?
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide has a molecular weight of 286.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 120564401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).