N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide

C11H13N3O — CID 7574617

IUPACN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
SMILESC[C@@H](NC=O)c1nc2ccccc2n1C
InChIInChI=1S/C11H13N3O/c1-8(12-7-15)11-13-9-5-3-4-6-10(9)14(11)2/h3-8H,1-2H3,(H,12,15)/t8-/m1/s1
InChIKeyVYYUGAOWEVCUCM-MRVPVSSYSA-N
MW203.25 g/mol
LogP1.38
Rot. Bonds3

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

N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide (PubChem CID 7574617) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
PubChem CID7574617
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
SMILESC[C@@H](NC=O)c1nc2ccccc2n1C
InChIInChI=1S/C11H13N3O/c1-8(12-7-15)11-13-9-5-3-4-6-10(9)14(11)2/h3-8H,1-2H3,(H,12,15)/t8-/m1/s1
InChIKeyVYYUGAOWEVCUCM-MRVPVSSYSA-N
XLogP1.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide
CID 7366372
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2987392
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366525
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364
1-(1-methylbenzimidazol-2-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43703094

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide?
The IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide (CID 7574617) is N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide.
What is the SMILES notation for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide?
The canonical SMILES for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide is C[C@@H](NC=O)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide?
The InChIKey is VYYUGAOWEVCUCM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(12-7-15)11-13-9-5-3-4-6-10(9)14(11)2/h3-8H,1-2H3,(H,12,15)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide?
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide has a molecular weight of 203.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide is sourced from PubChem (CID 7574617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).