N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide

C24H29ClN4O — CID 143161000

IUPACN-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide
SMILESCC(C)[C@H](c1nc(-c2cccc(Cl)c2)cn1Cc1ccccc1)N(C=O)CCCN
InChIInChI=1S/C24H29ClN4O/c1-18(2)23(28(17-30)13-7-12-26)24-27-22(20-10-6-11-21(25)14-20)16-29(24)15-19-8-4-3-5-9-19/h3-6,8-11,14,16-18,23H,7,12-13,15,26H2,1-2H3/t23-/m1/s1
InChIKeyMLUAFBKANYIXMS-HSZRJFAPSA-N
MW424.98 g/mol
LogP4.76
Rot. Bonds10

About N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide

N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide (PubChem CID 143161000) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide
PubChem CID143161000
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC NameN-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide
SMILESCC(C)[C@H](c1nc(-c2cccc(Cl)c2)cn1Cc1ccccc1)N(C=O)CCCN
InChIInChI=1S/C24H29ClN4O/c1-18(2)23(28(17-30)13-7-12-26)24-27-22(20-10-6-11-21(25)14-20)16-29(24)15-19-8-4-3-5-9-19/h3-6,8-11,14,16-18,23H,7,12-13,15,26H2,1-2H3/t23-/m1/s1
InChIKeyMLUAFBKANYIXMS-HSZRJFAPSA-N
XLogP4.76
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide?
The IUPAC name of N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide (CID 143161000) is N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide is CC(C)[C@H](c1nc(-c2cccc(Cl)c2)cn1Cc1ccccc1)N(C=O)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide?
The InChIKey is MLUAFBKANYIXMS-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-18(2)23(28(17-30)13-7-12-26)24-27-22(20-10-6-11-21(25)14-20)16-29(24)15-19-8-4-3-5-9-19/h3-6,8-11,14,16-18,23H,7,12-13,15,26H2,1-2H3/t23-/m1/s1.
What are the key properties of N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide?
N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide has a molecular weight of 424.98 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]formamide is sourced from PubChem (CID 143161000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).