N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide

C13H16N4O — CID 54976515

IUPACN-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2ncc[nH]2)cc1
InChIInChI=1S/C13H16N4O/c1-2-13(18)17-11-5-3-10(4-6-11)16-9-12-14-7-8-15-12/h3-8,16H,2,9H2,1H3,(H,14,15)(H,17,18)
InChIKeyCIHWDTVXTQFVLX-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.37
Rot. Bonds5

About N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide

N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide (PubChem CID 54976515) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide
PubChem CID54976515
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2ncc[nH]2)cc1
InChIInChI=1S/C13H16N4O/c1-2-13(18)17-11-5-3-10(4-6-11)16-9-12-14-7-8-15-12/h3-8,16H,2,9H2,1H3,(H,14,15)(H,17,18)
InChIKeyCIHWDTVXTQFVLX-UHFFFAOYSA-N
XLogP2.37
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide
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tert-butyl N-[3-(1H-imidazol-2-ylmethylamino)phenyl]carbamate
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tert-butyl N-[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]carbamate
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ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide?
The IUPAC name of N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide (CID 54976515) is N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide?
The canonical SMILES for N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide is CCC(=O)Nc1ccc(NCc2ncc[nH]2)cc1.
What is the InChIKey of N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide?
The InChIKey is CIHWDTVXTQFVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-13(18)17-11-5-3-10(4-6-11)16-9-12-14-7-8-15-12/h3-8,16H,2,9H2,1H3,(H,14,15)(H,17,18).
What are the key properties of N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide?
N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide has a molecular weight of 244.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide is sourced from PubChem (CID 54976515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).