[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone

C12H13N3O — CID 116921281

IUPAC[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone
SMILESNCC1(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C12H13N3O/c13-6-12(3-4-12)11(16)8-1-2-9-10(5-8)15-7-14-9/h1-2,5,7H,3-4,6,13H2,(H,14,15)
InChIKeyBPWURPNTQOYLLP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.48
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone

[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone (PubChem CID 116921281) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone
PubChem CID116921281
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone
SMILESNCC1(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C12H13N3O/c13-6-12(3-4-12)11(16)8-1-2-9-10(5-8)15-7-14-9/h1-2,5,7H,3-4,6,13H2,(H,14,15)
InChIKeyBPWURPNTQOYLLP-UHFFFAOYSA-N
XLogP1.48
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3H-benzimidazol-5-yl)methanone
CID 71332789
4-amino-1-(3H-benzimidazol-5-yl)-2-methylbutan-1-one
CID 116916037
N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119565508
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione
CID 90354958
1-(3H-benzimidazol-5-yl)-3-chloropropan-1-one
CID 82052582
1-(3H-benzimidazol-5-yl)-3-sulfanylpropan-1-one
CID 116830801
N-[(3-hydroxythiolan-3-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 111698305
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444802
N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
CID 106297402
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide
CID 115701405

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone (CID 116921281) is [1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone is NCC1(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone?
The InChIKey is BPWURPNTQOYLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-6-12(3-4-12)11(16)8-1-2-9-10(5-8)15-7-14-9/h1-2,5,7H,3-4,6,13H2,(H,14,15).
What are the key properties of [1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone?
[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone has a molecular weight of 215.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 116921281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).