N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide

C10H12N4O — CID 87838534

IUPACN-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide
SMILESNc1nc2ccccc2n1CCNC=O
InChIInChI=1S/C10H12N4O/c11-10-13-8-3-1-2-4-9(8)14(10)6-5-12-7-15/h1-4,7H,5-6H2,(H2,11,13)(H,12,15)
InChIKeyDIAFDNGIXUSYRW-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.36
Rot. Bonds4

About N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide

N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide (PubChem CID 87838534) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide
PubChem CID87838534
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide
SMILESNc1nc2ccccc2n1CCNC=O
InChIInChI=1S/C10H12N4O/c11-10-13-8-3-1-2-4-9(8)14(10)6-5-12-7-15/h1-4,7H,5-6H2,(H2,11,13)(H,12,15)
InChIKeyDIAFDNGIXUSYRW-UHFFFAOYSA-N
XLogP0.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide
CID 91520184
N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]formamide
CID 2992201
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
CID 44888796
2-(2-aminobenzimidazol-1-yl)-N-phenylacetamide
CID 82358872
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2992540
1-(methoxymethyl)benzimidazol-2-amine
CID 12808407
1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine
CID 106035956
tert-butyl N-[2-[2-(2-aminobenzimidazol-1-yl)ethoxy]ethyl]carbamate
CID 166454289
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide
CID 82358892

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide (CID 87838534) is N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide is Nc1nc2ccccc2n1CCNC=O.
What is the InChIKey of N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide?
The InChIKey is DIAFDNGIXUSYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-10-13-8-3-1-2-4-9(8)14(10)6-5-12-7-15/h1-4,7H,5-6H2,(H2,11,13)(H,12,15).
What are the key properties of N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide?
N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide has a molecular weight of 204.23 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide is sourced from PubChem (CID 87838534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).