trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide

C15H19N3O — CID 29303561

IUPACtrans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H19N3O/c1-10-9-11(10)15(19)16-8-4-7-14-17-12-5-2-3-6-13(12)18-14/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m1/s1
InChIKeyCBXOCWISTAEELG-GHMZBOCLSA-N
MW257.34 g/mol
LogP2.27
Rot. Bonds5

About trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 29303561) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
PubChem CID29303561
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Nametrans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H19N3O/c1-10-9-11(10)15(19)16-8-4-7-14-17-12-5-2-3-6-13(12)18-14/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m1/s1
InChIKeyCBXOCWISTAEELG-GHMZBOCLSA-N
XLogP2.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide
CID 119838296
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119838264
1-[3-(1H-benzimidazol-2-yl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962939
N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43229191
(1S,2R,4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98680037
N-[3-(1H-benzimidazol-2-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134032826
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 18783633
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide (CID 29303561) is trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is CBXOCWISTAEELG-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-9-11(10)15(19)16-8-4-7-14-17-12-5-2-3-6-13(12)18-14/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 29303561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).