(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide

C16H23FN4O — CID 119883594

IUPAC(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1nc2ccc(F)cc2n1C
InChIInChI=1S/C16H23FN4O/c1-10(2)8-12(18)16(22)19-7-6-15-20-13-5-4-11(17)9-14(13)21(15)3/h4-5,9-10,12H,6-8,18H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyMRYCVEASQPJNAA-LBPRGKRZSA-N
MW306.38 g/mol
LogP1.74
Rot. Bonds6

About (2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide

(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide (PubChem CID 119883594) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide
PubChem CID119883594
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC Name(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1nc2ccc(F)cc2n1C
InChIInChI=1S/C16H23FN4O/c1-10(2)8-12(18)16(22)19-7-6-15-20-13-5-4-11(17)9-14(13)21(15)3/h4-5,9-10,12H,6-8,18H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyMRYCVEASQPJNAA-LBPRGKRZSA-N
XLogP1.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375
3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119883587
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385
2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 56804714
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
(2R,3R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
CID 129492650
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119883529
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
4-(6-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutanoic acid
CID 62934477

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide (CID 119883594) is (2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCCc1nc2ccc(F)cc2n1C.
What is the InChIKey of (2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide?
The InChIKey is MRYCVEASQPJNAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-10(2)8-12(18)16(22)19-7-6-15-20-13-5-4-11(17)9-14(13)21(15)3/h4-5,9-10,12H,6-8,18H2,1-3H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide has a molecular weight of 306.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 119883594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).