2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide

C15H18N4O — CID 110121898

IUPAC2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide
SMILESNCc1cn(-c2ccccc2C(=O)NCC2CC2)cn1
InChIInChI=1S/C15H18N4O/c16-7-12-9-19(10-18-12)14-4-2-1-3-13(14)15(20)17-8-11-5-6-11/h1-4,9-11H,5-8,16H2,(H,17,20)
InChIKeyYGXYCRYCNXXLAC-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.47
Rot. Bonds5

About 2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide

2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide (PubChem CID 110121898) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide
PubChem CID110121898
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide
SMILESNCc1cn(-c2ccccc2C(=O)NCC2CC2)cn1
InChIInChI=1S/C15H18N4O/c16-7-12-9-19(10-18-12)14-4-2-1-3-13(14)15(20)17-8-11-5-6-11/h1-4,9-11H,5-8,16H2,(H,17,20)
InChIKeyYGXYCRYCNXXLAC-UHFFFAOYSA-N
XLogP1.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121856
2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 110121943
2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide
CID 124999503
2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide
CID 110121958
[1-(2-ethylphenyl)imidazol-4-yl]methanamine
CID 82506290
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]imidazol-1-yl]benzoic acid
CID 110097873
N-(cyclopropylmethyl)-2-sulfamoylbenzamide
CID 43164725
1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
CID 106770157
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(cyclopropylmethyl)benzamide
CID 42848145
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 110121961
5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 166285161
N-[[(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 164631936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide (CID 110121898) is 2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide is NCc1cn(-c2ccccc2C(=O)NCC2CC2)cn1.
What is the InChIKey of 2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide?
The InChIKey is YGXYCRYCNXXLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-7-12-9-19(10-18-12)14-4-2-1-3-13(14)15(20)17-8-11-5-6-11/h1-4,9-11H,5-8,16H2,(H,17,20).
What are the key properties of 2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide?
2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide has a molecular weight of 270.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 110121898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).