(1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate

C19H23ClN4O2 — CID 90353493

IUPAC(1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate
SMILESCn1cnc(OC(=O)N(CCc2ccc(Cl)cc2)CC2C3CNCC32)c1
InChIInChI=1S/C19H23ClN4O2/c1-23-11-18(22-12-23)26-19(25)24(10-17-15-8-21-9-16(15)17)7-6-13-2-4-14(20)5-3-13/h2-5,11-12,15-17,21H,6-10H2,1H3
InChIKeyCQXHGRCKMBDNNC-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.58
Rot. Bonds6

About (1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate

(1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate (PubChem CID 90353493) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name(1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate
PubChem CID90353493
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name(1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate
SMILESCn1cnc(OC(=O)N(CCc2ccc(Cl)cc2)CC2C3CNCC32)c1
InChIInChI=1S/C19H23ClN4O2/c1-23-11-18(22-12-23)26-19(25)24(10-17-15-8-21-9-16(15)17)7-6-13-2-4-14(20)5-3-13/h2-5,11-12,15-17,21H,6-10H2,1H3
InChIKeyCQXHGRCKMBDNNC-UHFFFAOYSA-N
XLogP2.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate?
The IUPAC name of (1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate (CID 90353493) is (1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for (1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate?
The canonical SMILES for (1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate is Cn1cnc(OC(=O)N(CCc2ccc(Cl)cc2)CC2C3CNCC32)c1.
What is the InChIKey of (1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate?
The InChIKey is CQXHGRCKMBDNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-23-11-18(22-12-23)26-19(25)24(10-17-15-8-21-9-16(15)17)7-6-13-2-4-14(20)5-3-13/h2-5,11-12,15-17,21H,6-10H2,1H3.
What are the key properties of (1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate?
(1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate has a molecular weight of 374.87 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 90353493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).