1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide

C14H16N4O — CID 119738584

IUPAC1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C14H16N4O/c15-14(6-7-14)12(19)17-13-16-8-9-18(13)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,15H2,(H,16,17,19)
InChIKeyDRZLIDAILDDLDT-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.36
Rot. Bonds4

About 1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide

1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 119738584) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide
PubChem CID119738584
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C14H16N4O/c15-14(6-7-14)12(19)17-13-16-8-9-18(13)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,15H2,(H,16,17,19)
InChIKeyDRZLIDAILDDLDT-UHFFFAOYSA-N
XLogP1.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide (CID 119738584) is 1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide is NC1(C(=O)Nc2nccn2Cc2ccccc2)CC1.
What is the InChIKey of 1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is DRZLIDAILDDLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14(6-7-14)12(19)17-13-16-8-9-18(13)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,15H2,(H,16,17,19).
What are the key properties of 1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide?
1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119738584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).