2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide

C12H15N5O2 — CID 63636509

IUPAC2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide
SMILESNCCc1nc2ccccc2n1CC(=O)NC(N)=O
InChIInChI=1S/C12H15N5O2/c13-6-5-10-15-8-3-1-2-4-9(8)17(10)7-11(18)16-12(14)19/h1-4H,5-7,13H2,(H3,14,16,18,19)
InChIKeyKJHXRYGHLAOPMI-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.27
Rot. Bonds4

About 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide

2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide (PubChem CID 63636509) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide
PubChem CID63636509
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide
SMILESNCCc1nc2ccccc2n1CC(=O)NC(N)=O
InChIInChI=1S/C12H15N5O2/c13-6-5-10-15-8-3-1-2-4-9(8)17(10)7-11(18)16-12(14)19/h1-4H,5-7,13H2,(H3,14,16,18,19)
InChIKeyKJHXRYGHLAOPMI-UHFFFAOYSA-N
XLogP-0.27
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63637023
propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
CID 63637880
2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 55244547
N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 115569298
1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one
CID 82899574
2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
CID 63637024
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357
N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 21264572
2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanamine
CID 63636171
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide (CID 63636509) is 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide is NCCc1nc2ccccc2n1CC(=O)NC(N)=O.
What is the InChIKey of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide?
The InChIKey is KJHXRYGHLAOPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-6-5-10-15-8-3-1-2-4-9(8)17(10)7-11(18)16-12(14)19/h1-4H,5-7,13H2,(H3,14,16,18,19).
What are the key properties of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide?
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide has a molecular weight of 261.29 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide is sourced from PubChem (CID 63636509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).