4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide

C12H21N3O — CID 119067776

IUPAC4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide
SMILESCc1[nH]cnc1CNC(=O)CCC(C)(C)C
InChIInChI=1S/C12H21N3O/c1-9-10(15-8-14-9)7-13-11(16)5-6-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyOAEVYRGVCTWUDN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.16
Rot. Bonds4

About 4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide

4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide (PubChem CID 119067776) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide
PubChem CID119067776
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide
SMILESCc1[nH]cnc1CNC(=O)CCC(C)(C)C
InChIInChI=1S/C12H21N3O/c1-9-10(15-8-14-9)7-13-11(16)5-6-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyOAEVYRGVCTWUDN-UHFFFAOYSA-N
XLogP2.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-4-amino-N,N-diethyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 56721956
1-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}pyrrolidin-2-one
CID 74231333
(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[2.5]octane-2-carboxamide
CID 126427916
(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 164642020
N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 56712672
2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 130671592
N-methyl-3-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}butanamide
CID 50954861
2-methyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]-1,4-diazepan-5-one
CID 50956336
3-butyl-1-methyl-4-[(4-methyl-1H-imidazol-5-yl)methyl]piperazin-2-one
CID 50961113
N,N-dimethyl-2-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}propanamide
CID 50982626
1-[(4aR,8aS)-6-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-3,3-dimethylbutan-1-one
CID 126462601
3,3-Dimethyl-1-(1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-butan-1-one
CID 9859315

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide?
The IUPAC name of 4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide (CID 119067776) is 4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide?
The canonical SMILES for 4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide is Cc1[nH]cnc1CNC(=O)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide?
The InChIKey is OAEVYRGVCTWUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-10(15-8-14-9)7-13-11(16)5-6-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide?
4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide has a molecular weight of 223.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 119067776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).