2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide

C15H16Cl2FN3O — CID 56804714

IUPAC2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
SMILESCn1c(CCNC(=O)C2(C)CC2(Cl)Cl)nc2ccc(F)cc21
InChIInChI=1S/C15H16Cl2FN3O/c1-14(8-15(14,16)17)13(22)19-6-5-12-20-10-4-3-9(18)7-11(10)21(12)2/h3-4,7H,5-6,8H2,1-2H3,(H,19,22)
InChIKeyVBADEVONGTVNLP-UHFFFAOYSA-N
MW344.22 g/mol
LogP2.95
Rot. Bonds4

About 2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 56804714) has the molecular formula C15H16Cl2FN3O and a molecular weight of 344.22 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
PubChem CID56804714
Molecular FormulaC15H16Cl2FN3O
Molecular Weight344.22 g/mol
Exact Mass343.07
IUPAC Name2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
SMILESCn1c(CCNC(=O)C2(C)CC2(Cl)Cl)nc2ccc(F)cc21
InChIInChI=1S/C15H16Cl2FN3O/c1-14(8-15(14,16)17)13(22)19-6-5-12-20-10-4-3-9(18)7-11(10)21(12)2/h3-4,7H,5-6,8H2,1-2H3,(H,19,22)
InChIKeyVBADEVONGTVNLP-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119883587
2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119883563
(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119883594
1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882368
(2R,3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120941579
(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119883529
(2R,3R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
CID 129492650
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 62377222
2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375
N-[2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]acetamide
CID 62376522
tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate
CID 123697961

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide (CID 56804714) is 2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide is Cn1c(CCNC(=O)C2(C)CC2(Cl)Cl)nc2ccc(F)cc21.
What is the InChIKey of 2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is VBADEVONGTVNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2FN3O/c1-14(8-15(14,16)17)13(22)19-6-5-12-20-10-4-3-9(18)7-11(10)21(12)2/h3-4,7H,5-6,8H2,1-2H3,(H,19,22).
What are the key properties of 2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 344.22 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 56804714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).