N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide

C19H23N3O — CID 42818873

IUPACN-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1nccn1Cc1ccccc1)CC1CC1
InChIInChI=1S/C19H23N3O/c23-19(17-8-9-17)22(13-16-6-7-16)14-18-20-10-11-21(18)12-15-4-2-1-3-5-15/h1-5,10-11,16-17H,6-9,12-14H2
InChIKeyRSGHPYXEJUNDCQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.08
Rot. Bonds7

About N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide

N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide (PubChem CID 42818873) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
PubChem CID42818873
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(Cc1nccn1Cc1ccccc1)CC1CC1
InChIInChI=1S/C19H23N3O/c23-19(17-8-9-17)22(13-16-6-7-16)14-18-20-10-11-21(18)12-15-4-2-1-3-5-15/h1-5,10-11,16-17H,6-9,12-14H2
InChIKeyRSGHPYXEJUNDCQ-UHFFFAOYSA-N
XLogP3.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide (CID 42818873) is N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide is O=C(C1CC1)N(Cc1nccn1Cc1ccccc1)CC1CC1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide?
The InChIKey is RSGHPYXEJUNDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(17-8-9-17)22(13-16-6-7-16)14-18-20-10-11-21(18)12-15-4-2-1-3-5-15/h1-5,10-11,16-17H,6-9,12-14H2.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide?
N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 42818873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).