3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide

C16H26N4O — CID 110198070

IUPAC3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCc1cnc(CC2CCN(C(=O)N(C)C)C2)n1CC1CC1
InChIInChI=1S/C16H26N4O/c1-12-9-17-15(20(12)11-13-4-5-13)8-14-6-7-19(10-14)16(21)18(2)3/h9,13-14H,4-8,10-11H2,1-3H3
InChIKeyOTPLDPNPHQLLAP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.15
Rot. Bonds4

About 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide

3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 110198070) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID110198070
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCc1cnc(CC2CCN(C(=O)N(C)C)C2)n1CC1CC1
InChIInChI=1S/C16H26N4O/c1-12-9-17-15(20(12)11-13-4-5-13)8-14-6-7-19(10-14)16(21)18(2)3/h9,13-14H,4-8,10-11H2,1-3H3
InChIKeyOTPLDPNPHQLLAP-UHFFFAOYSA-N
XLogP2.15
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-[4-(5-methylimidazol-1-yl)but-2-ynyl]imidazolidin-2-one
CID 15065578
7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97361095
4-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)-N,N-dimethylpiperidine-1-carboxamide
CID 110198117
1-[3-[[1-(Cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110198069
Cyclopropyl-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]methanone
CID 124046107
1-(cyclopropylmethyl)-5-methyl-2-(tetrahydro-1H-pyrrol-3-ylmethyl)-1H-imidazole
CID 90488067
1-Cyclopropyl-5-methyl-2-[(pyrrolidin-3-YL)methyl]-1H-imidazole
CID 90488069
5-Methyl-1-(propan-2-YL)-2-[(pyrrolidin-3-YL)methyl]-1H-imidazole
CID 90488072
3-Tert-butyl-1-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-YL]ethyl}urea
CID 91911719
1-{2-[1-(Cyclopropylmethyl)-5-methyl-1H-imidazol-2-YL]ethyl}-3-propylurea
CID 91911720
3-{[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]methyl}-N-ethyltetrahydro-1(2H)-pyridinecarboxamide
CID 91923909
N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-N'-ethylurea
CID 91923962

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide (CID 110198070) is 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide is Cc1cnc(CC2CCN(C(=O)N(C)C)C2)n1CC1CC1.
What is the InChIKey of 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is OTPLDPNPHQLLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-9-17-15(20(12)11-13-4-5-13)8-14-6-7-19(10-14)16(21)18(2)3/h9,13-14H,4-8,10-11H2,1-3H3.
What are the key properties of 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide?
3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 110198070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).