4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide

C14H18N4O — CID 43792002

IUPAC4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide
SMILESCC(Cn1ccnc1)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H18N4O/c1-11(9-18-7-6-16-10-18)17-8-12-2-4-13(5-3-12)14(15)19/h2-7,10-11,17H,8-9H2,1H3,(H2,15,19)
InChIKeyNZSMXYNNXGSQRS-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.16
Rot. Bonds6

About 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide

4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide (PubChem CID 43792002) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide
PubChem CID43792002
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC Name4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide
SMILESCC(Cn1ccnc1)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H18N4O/c1-11(9-18-7-6-16-10-18)17-8-12-2-4-13(5-3-12)14(15)19/h2-7,10-11,17H,8-9H2,1H3,(H2,15,19)
InChIKeyNZSMXYNNXGSQRS-UHFFFAOYSA-N
XLogP1.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43791881
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 56718318
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63591412
4-fluoro-3-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzoic acid
CID 107452763
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine
CID 56703534
(2S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 51683999
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868

Frequently Asked Questions

What is the IUPAC name of 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide?
The IUPAC name of 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide (CID 43792002) is 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide.
What is the SMILES notation for 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide?
The canonical SMILES for 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide is CC(Cn1ccnc1)NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide?
The InChIKey is NZSMXYNNXGSQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(9-18-7-6-16-10-18)17-8-12-2-4-13(5-3-12)14(15)19/h2-7,10-11,17H,8-9H2,1H3,(H2,15,19).
What are the key properties of 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide?
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide has a molecular weight of 258.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 43792002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).