N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide

C29H39N5O — CID 73232700

IUPACN-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide
SMILESCC(C)(C)C(c1nc(-c2ccccc2)cn1Cc1ccccc1)N(CCCN)C(=O)N1CCCC1
InChIInChI=1S/C29H39N5O/c1-29(2,3)26(34(20-12-17-30)28(35)32-18-10-11-19-32)27-31-25(24-15-8-5-9-16-24)22-33(27)21-23-13-6-4-7-14-23/h4-9,13-16,22,26H,10-12,17-21,30H2,1-3H3
InChIKeyUAYMZNMBZHEPGW-UHFFFAOYSA-N
MW473.67 g/mol
LogP5.55
Rot. Bonds8

About N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide

N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide (PubChem CID 73232700) has the molecular formula C29H39N5O and a molecular weight of 473.67 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide
PubChem CID73232700
Molecular FormulaC29H39N5O
Molecular Weight473.67 g/mol
Exact Mass473.32
IUPAC NameN-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide
SMILESCC(C)(C)C(c1nc(-c2ccccc2)cn1Cc1ccccc1)N(CCCN)C(=O)N1CCCC1
InChIInChI=1S/C29H39N5O/c1-29(2,3)26(34(20-12-17-30)28(35)32-18-10-11-19-32)27-31-25(24-15-8-5-9-16-24)22-33(27)21-23-13-6-4-7-14-23/h4-9,13-16,22,26H,10-12,17-21,30H2,1-3H3
InChIKeyUAYMZNMBZHEPGW-UHFFFAOYSA-N
XLogP5.55
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.67
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[4-(5-amino-2-fluorophenyl)-1-benzylimidazol-2-yl]-2,2-dimethylpropyl]-N-(3-aminopropyl)-1-oxo-1,4-thiazinane-4-carboxamide
CID 58812850
1-(3-aminopropyl)-1-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-3-thiophen-3-ylurea
CID 73232789
tert-butyl N-[3-[[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-(piperazine-1-carbonyl)amino]propyl]carbamate;ethane
CID 143412029
(3R)-N-[(2S)-3-amino-2-fluoropropyl]-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-3-hydroxypyrrolidine-1-carboxamide
CID 67403301
N-[(2R)-3-amino-2-fluoropropyl]-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-4-butylsulfonylpiperazine-1-carboxamide;methane
CID 160954294
1-(3-amino-2-fluoropropyl)-1-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-3-(2-hydroxyethyl)-3-methylurea
CID 73232412
1-(3-amino-2-fluoropropyl)-1-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-3,3-dimethylurea
CID 73232875
N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide
CID 76615921
N-[2-[(2-aminoacetyl)amino]ethyl]-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide
CID 76616019
methyl N-(3-aminopropyl)-N-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 76616089
N-(3-aminopropyl)-N-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-methoxyacetamide
CID 71217687
N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide
CID 68813106

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide (CID 73232700) is N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide is CC(C)(C)C(c1nc(-c2ccccc2)cn1Cc1ccccc1)N(CCCN)C(=O)N1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide?
The InChIKey is UAYMZNMBZHEPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O/c1-29(2,3)26(34(20-12-17-30)28(35)32-18-10-11-19-32)27-31-25(24-15-8-5-9-16-24)22-33(27)21-23-13-6-4-7-14-23/h4-9,13-16,22,26H,10-12,17-21,30H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide?
N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide has a molecular weight of 473.67 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 73232700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).